Mn96C832N64H320O256Cl49 crystallizes in the triclinic P1 space group. There are seventeen inequivalent Mn sites. In the first Mn site, Mn(1,25) is bonded in a square pyramidal geometry to one N(1,2,3,4,12,18,19,42,43,44,49,52,58,59,60); one N(10,11,17,20,25,26,27,33,34,35,36,41,50,51,57); one N(14,16,21,23,29,30,32,37,38,39,40,45,54,56,61); one N(5,6,7,8,15,22,24,46,47,48,53,55,62,63,64); and one Cl(5,6,7,8,14,19,20,34,35,36,41,42,47,48,49) atom. The Mn(1,25)-N(1,2,3,4,12,18,19,42,43,44,49,52,58,59,60) bond length is 2.01 Å. The Mn(1,25)-N(10,11,17,20,25,26,27,33,34,35,36,41,50,51,57) bond length is 2.01 Å. The Mn(1,25)-N(14,16,21,23,29,30,32,37,38,39,40,45,54,56,61) bond length is 2.01 Å. The Mn(1,25)-N(5,6,7,8,15,22,24,46,47,48,53,55,62,63,64) bond length is 2.01 Å. The Mn(1,25)-Cl(5,6,7,8,14,19,20,34,35,36,41,42,47,48,49) bond length is 2.45 Å. In the second Mn site, Mn(2,37) is bonded in a square pyramidal geometry to one N(1,2,3,4,12,18,19,42,43,44,49,52,58,59,60); one N(10,11,17,20,25,26,27,33,34,35,36,41,50,51,57); one N(14,16,21,23,29,30,32,37,38,39,40,45,54,56,61); one N(5,6,7,8,15,22,24,46,47,48,53,55,62,63,64); and one Cl(5,6,7,8,14,19,20,34,35,36,41,42,47,48,49) atom. The Mn(2,37)-N(1,2,3,4,12,18,19,42,43,44,49,52,58,59,60) bond length is 2.01 Å. The Mn(2,37)-N(10,11,17,20,25,26,27,33,34,35,36,41,50,51,57) bond length is 2.01 Å. The Mn(2,37)-N(14,16,21,23,29,30,32,37,38,39,40,45,54,56,61) bond length is 2.01 Å. The Mn(2,37)-N(5,6,7,8,15,22,24,46,47,48,53,55,62,63,64) bond length is 2.01 Å. The Mn(2,37)-Cl(5,6,7,8,14,19,20,34,35,36,41,42,47,48,49) bond length is 2.45 Å. In the third Mn site, Mn(3,4,15,16,27,28,39,40,51,52,63,64,75,76,87,88) is bonded in a square co-planar geometry to four equivalent O(1,9,17,25,41,45,57,61,65,81,85,109,117,121,141,161,165,177,181,185,201,205,217,225,241,249) atoms. All Mn(3,4,15,16,27,28,39,40,51,52,63,64,75,76,87,88)-O(1,9,17,25,41,45,57,61,65,81,85,109,117,121,141,161,165,177,181,185,201,205,217,225,241,249) bond lengths are 2.14 Å. In the fourth Mn site, Mn(5,7,42,44,54,65,78,89) is bonded in an L-shaped geometry to two equivalent O(2,10,18,26,110,118,126,158,162,186,222,226,250) atoms. Both Mn(5,7,42,44,54,65,78,89)-O(2,10,18,26,110,118,126,158,162,186,222,226,250) bond lengths are 2.06 Å. In the fifth Mn site, Mn(6,17,18,19,20,29,30,31,32,41,56,66,67,68,77,79,80,91) is bonded in an L-shaped geometry to one O(30,34,38,50,54,74,78,90,94,98,150,170,174,190,194,210,214,234) and one O(6,42,62,70,82,178,202,242) atom. The Mn(6,17,18,19,20,29,30,31,32,41,56,66,67,68,77,79,80,91)-O(30,34,38,50,54,74,78,90,94,98,150,170,174,190,194,210,214,234) bond length is 2.06 Å. The Mn(6,17,18,19,20,29,30,31,32,41,56,66,67,68,77,79,80,91)-O(6,42,62,70,82,178,202,242) bond length is 2.06 Å. In the sixth Mn site, Mn(8,43,53,55,90,92) is bonded in an L-shaped geometry to two equivalent O(14,22,106,114,130,138,146,154,238,246,254) atoms. Both Mn(8,43,53,55,90,92)-O(14,22,106,114,130,138,146,154,238,246,254) bond lengths are 2.06 Å. In the seventh Mn site, Mn(9,10,11,12,21,22,23,24,33,34,35,36,45,46,47,48,57,58,59,60,69,70,71,72,81,82,83,84,93,94,95,96) is bonded in a distorted trigonal bipyramidal geometry to two equivalent O(3,7,11,15,19,23,27,31,35,39,43,47,51,55,59,63,67,71,75,79,83,87,91,95,99,103,107,111,115,119,123,127,131,135,139,143,147,151,155,159,163,167,171,175,179,183,187,191,195,199,203,207,211,215,219,223,227,231,235,239,243,247,251,255); two equivalent O(4,8,12,20,28,32,36,40,44,52,60,64,72,76,80,84,92,96,100,104,108,112,116,124,128,132,136,140,148,156,160,164,168,172,180,188,192,200,204,208,212,220,224,228,232,236,240,244,252,256); and one Cl(1,2,3,4,9,10,11,12,15,16,17,18,21,22,23,24,26,27,28,29,30,31,32,33,37,38,39,40,43,44,45,46) atom. Both Mn(9,10,11,12,21,22,23,24,33,34,35,36,45,46,47,48,57,58,59,60,69,70,71,72,81,82,83,84,93,94,95,96)-O(3,7,11,15,19,23,27,31,35,39,43,47,51,55,59,63,67,71,75,79,83,87,91,95,99,103,107,111,115,119,123,127,131,135,139,143,147,151,155,159,163,167,171,175,179,183,187,191,195,199,203,207,211,215,219,223,227,231,235,239,243,247,251,255) bond lengths are 2.11 Å. Both Mn(9,10,11,12,21,22,23,24,33,34,35,36,45,46,47,48,57,58,59,60,69,70,71,72,81,82,83,84,93,94,95,96)-O(4,8,12,20,28,32,36,40,44,52,60,64,72,76,80,84,92,96,100,104,108,112,116,124,128,132,136,140,148,156,160,164,168,172,180,188,192,200,204,208,212,220,224,228,232,236,240,244,252,256) bond lengths are 2.13 Å. The Mn(9,10,11,12,21,22,23,24,33,34,35,36,45,46,47,48,57,58,59,60,69,70,71,72,81,82,83,84,93,94,95,96)-Cl(1,2,3,4,9,10,11,12,15,16,17,18,21,22,23,24,26,27,28,29,30,31,32,33,37,38,39,40,43,44,45,46) bond length is 2.34 Å. In the eighth Mn site, Mn(13) is bonded in an octahedral geometry to two equivalent N(13,31); two equivalent N(9,28); and two equivalent Cl(13,25) atoms. Both Mn(13)-N(13,31) bond lengths are 2.01 Å. Both Mn(13)-N(9,28) bond lengths are 2.01 Å. Both Mn(13)-Cl(13,25) bond lengths are 2.45 Å. In the ninth Mn site, Mn(14) is bonded in a square pyramidal geometry to one N(1,2,3,4,12,18,19,42,43,44,49,52,58,59,60); one N(10,11,17,20,25,26,27,33,34,35,36,41,50,51,57); one N(14,16,21,23,29,30,32,37,38,39,40,45,54,56,61); one N(5,6,7,8,15,22,24,46,47,48,53,55,62,63,64); and one Cl(5,6,7,8,14,19,20,34,35,36,41,42,47,48,49) atom. The Mn(14)-N(1,2,3,4,12,18,19,42,43,44,49,52,58,59,60) bond length is 2.01 Å. The Mn(14)-N(10,11,17,20,25,26,27,33,34,35,36,41,50,51,57) bond length is 2.01 Å. The Mn(14)-N(14,16,21,23,29,30,32,37,38,39,40,45,54,56,61) bond length is 2.01 Å. The Mn(14)-N(5,6,7,8,15,22,24,46,47,48,53,55,62,63,64) bond length is 2.01 Å. The Mn(14)-Cl(5,6,7,8,14,19,20,34,35,36,41,42,47,48,49) bond length is 2.45 Å. In the tenth Mn site, Mn(26) is bonded in a square pyramidal geometry to one N(1,2,3,4,12,18,19,42,43,44,49,52,58,59,60); one N(10,11,17,20,25,26,27,33,34,35,36,41,50,51,57); one N(14,16,21,23,29,30,32,37,38,39,40,45,54,56,61); one N(5,6,7,8,15,22,24,46,47,48,53,55,62,63,64); and one Cl(5,6,7,8,14,19,20,34,35,36,41,42,47,48,49) atom. The Mn(26)-N(1,2,3,4,12,18,19,42,43,44,49,52,58,59,60) bond length is 2.01 Å. The Mn(26)-N(10,11,17,20,25,26,27,33,34,35,36,41,50,51,57) bond length is 2.01 Å. The Mn(26)-N(14,16,21,23,29,30,32,37,38,39,40,45,54,56,61) bond length is 2.01 Å. The Mn(26)-N(5,6,7,8,15,22,24,46,47,48,53,55,62,63,64) bond length is 2.01 Å. The Mn(26)-Cl(5,6,7,8,14,19,20,34,35,36,41,42,47,48,49) bond length is 2.45 Å. In the eleventh Mn site, Mn(38) is bonded in a square pyramidal geometry to one N(1,2,3,4,12,18,19,42,43,44,49,52,58,59,60); one N(10,11,17,20,25,26,27,33,34,35,36,41,50,51,57); one N(14,16,21,23,29,30,32,37,38,39,40,45,54,56,61); one N(5,6,7,8,15,22,24,46,47,48,53,55,62,63,64); and one Cl(5,6,7,8,14,19,20,34,35,36,41,42,47,48,49) atom. The Mn(38)-N(1,2,3,4,12,18,19,42,43,44,49,52,58,59,60) bond length is 2.01 Å. The Mn(38)-N(10,11,17,20,25,26,27,33,34,35,36,41,50,51,57) bond length is 2.01 Å. The Mn(38)-N(14,16,21,23,29,30,32,37,38,39,40,45,54,56,61) bond length is 2.01 Å. The Mn(38)-N(5,6,7,8,15,22,24,46,47,48,53,55,62,63,64) bond length is 2.01 Å. The Mn(38)-Cl(5,6,7,8,14,19,20,34,35,36,41,42,47,48,49) bond length is 2.45 Å. In the twelfth Mn site, Mn(49,61) is bonded in a square pyramidal geometry to one N(1,2,3,4,12,18,19,42,43,44,49,52,58,59,60); one N(10,11,17,20,25,26,27,33,34,35,36,41,50,51,57); one N(14,16,21,23,29,30,32,37,38,39,40,45,54,56,61); one N(5,6,7,8,15,22,24,46,47,48,53,55,62,63,64); and one Cl(5,6,7,8,14,19,20,34,35,36,41,42,47,48,49) atom. The Mn(49,61)-N(1,2,3,4,12,18,19,42,43,44,49,52,58,59,60) bond length is 2.01 Å. The Mn(49,61)-N(10,11,17,20,25,26,27,33,34,35,36,41,50,51,57) bond length is 2.01 Å. The Mn(49,61)-N(14,16,21,23,29,30,32,37,38,39,40,45,54,56,61) bond length is 2.01 Å. The Mn(49,61)-N(5,6,7,8,15,22,24,46,47,48,53,55,62,63,64) bond length is 2.01 Å. The Mn(49,61)-Cl(5,6,7,8,14,19,20,34,35,36,41,42,47,48,49) bond length is 2.45 Å. In the thirteenth Mn site, Mn(50,74) is bonded in a square pyramidal geometry to one N(1,2,3,4,12,18,19,42,43,44,49,52,58,59,60); one N(10,11,17,20,25,26,27,33,34,35,36,41,50,51,57); one N(14,16,21,23,29,30,32,37,38,39,40,45,54,56,61); one N(5,6,7,8,15,22,24,46,47,48,53,55,62,63,64); and one Cl(5,6,7,8,14,19,20,34,35,36,41,42,47,48,49) atom. The Mn(50,74)-N(1,2,3,4,12,18,19,42,43,44,49,52,58,59,60) bond length is 2.01 Å. The Mn(50,74)-N(10,11,17,20,25,26,27,33,34,35,36,41,50,51,57) bond length is 2.01 Å. The Mn(50,74)-N(14,16,21,23,29,30,32,37,38,39,40,45,54,56,61) bond length is 2.01 Å. The Mn(50,74)-N(5,6,7,8,15,22,24,46,47,48,53,55,62,63,64) bond length is 2.01 Å. The Mn(50,74)-Cl(5,6,7,8,14,19,20,34,35,36,41,42,47,48,49) bond length is 2.45 Å. In the fourteenth Mn site, Mn(62) is bonded in a square pyramidal geometry to one N(1,2,3,4,12,18,19,42,43,44,49,52,58,59,60); one N(10,11,17,20,25,26,27,33,34,35,36,41,50,51,57); one N(14,16,21,23,29,30,32,37,38,39,40,45,54,56,61); one N(5,6,7,8,15,22,24,46,47,48,53,55,62,63,64); and one Cl(5,6,7,8,14,19,20,34,35,36,41,42,47,48,49) atom. The Mn(62)-N(1,2,3,4,12,18,19,42,43,44,49,52,58,59,60) bond length is 2.01 Å. The Mn(62)-N(10,11,17,20,25,26,27,33,34,35,36,41,50,51,57) bond length is 2.01 Å. The Mn(62)-N(14,16,21,23,29,30,32,37,38,39,40,45,54,56,61) bond length is 2.01 Å. The Mn(62)-N(5,6,7,8,15,22,24,46,47,48,53,55,62,63,64) bond length is 2.01 Å. The Mn(62)-Cl(5,6,7,8,14,19,20,34,35,36,41,42,47,48,49) bond length is 2.45 Å. In the fifteenth Mn site, Mn(73) is bonded in a square pyramidal geometry to one N(1,2,3,4,12,18,19,42,43,44,49,52,58,59,60); one N(10,11,17,20,25,26,27,33,34,35,36,41,50,51,57); one N(14,16,21,23,29,30,32,37,38,39,40,45,54,56,61); one N(5,6,7,8,15,22,24,46,47,48,53,55,62,63,64); and one Cl(5,6,7,8,14,19,20,34,35,36,41,42,47,48,49) atom. The Mn(73)-N(1,2,3,4,12,18,19,42,43,44,49,52,58,59,60) bond length is 2.01 Å. The Mn(73)-N(10,11,17,20,25,26,27,33,34,35,36,41,50,51,57) bond length is 2.01 Å. The Mn(73)-N(14,16,21,23,29,30,32,37,38,39,40,45,54,56,61) bond length is 2.01 Å. The Mn(73)-N(5,6,7,8,15,22,24,46,47,48,53,55,62,63,64) bond length is 2.01 Å. The Mn(73)-Cl(5,6,7,8,14,19,20,34,35,36,41,42,47,48,49) bond length is 2.45 Å. In the sixteenth Mn site, Mn(85) is bonded in a square pyramidal geometry to one N(1,2,3,4,12,18,19,42,43,44,49,52,58,59,60); one N(10,11,17,20,25,26,27,33,34,35,36,41,50,51,57); one N(14,16,21,23,29,30,32,37,38,39,40,45,54,56,61); one N(5,6,7,8,15,22,24,46,47,48,53,55,62,63,64); and one Cl(5,6,7,8,14,19,20,34,35,36,41,42,47,48,49) atom. The Mn(85)-N(1,2,3,4,12,18,19,42,43,44,49,52,58,59,60) bond length is 2.01 Å. The Mn(85)-N(10,11,17,20,25,26,27,33,34,35,36,41,50,51,57) bond length is 2.01 Å. The Mn(85)-N(14,16,21,23,29,30,32,37,38,39,40,45,54,56,61) bond length is 2.01 Å. The Mn(85)-N(5,6,7,8,15,22,24,46,47,48,53,55,62,63,64) bond length is 2.01 Å. The Mn(85)-Cl(5,6,7,8,14,19,20,34,35,36,41,42,47,48,49) bond length is 2.45 Å. In the seventeenth Mn site, Mn(86) is bonded in a square pyramidal geometry to one N(1,2,3,4,12,18,19,42,43,44,49,52,58,59,60); one N(10,11,17,20,25,26,27,33,34,35,36,41,50,51,57); one N(14,16,21,23,29,30,32,37,38,39,40,45,54,56,61); one N(5,6,7,8,15,22,24,46,47,48,53,55,62,63,64); and one Cl(5,6,7,8,14,19,20,34,35,36,41,42,47,48,49) atom. The Mn(86)-N(1,2,3,4,12,18,19,42,43,44,49,52,58,59,60) bond length is 2.01 Å. The Mn(86)-N(10,11,17,20,25,26,27,33,34,35,36,41,50,51,57) bond length is 2.01 Å. The Mn(86)-N(14,16,21,23,29,30,32,37,38,39,40,45,54,56,61) bond length is 2.01 Å. The Mn(86)-N(5,6,7,8,15,22,24,46,47,48,53,55,62,63,64) bond length is 2.01 Å. The Mn(86)-Cl(5,6,7,8,14,19,20,34,35,36,41,42,47,48,49) bond length is 2.45 Å. There are forty-five inequivalent C sites. In the first C site, C(105,144,365,404) is bonded in a distorted single-bond geometry to one C(106,145,366,405) and one H(41,56,141,156) atom. The C(105,144,365,404)-C(106,145,366,405) bond length is 1.43 Å. The C(105,144,365,404)-H(41,56,141,156) bond length is 0.93 Å. In the second C site, C(106,145,366,405) is bonded in a distorted trigonal planar geometry to one C(105,144,365,404); one C(107,354); and one N(13,31) atom. The C(106,145,366,405)-C(107,354) bond length is 1.39 Å. The C(106,145,366,405)-N(13,31) bond length is 1.36 Å. In the third C site, C(107,354) is bonded in a trigonal planar geometry to one C(106,145,366,405); one C(108,199,355,368); and one C(110,201,357,370) atom. The C(107,354)-C(108,199,355,368) bond length is 1.39 Å. The C(107,354)-C(110,201,357,370) bond length is 1.49 Å. In the fourth C site, C(108,199,355,368) is bonded in a distorted trigonal planar geometry to one C(107,354); one C(109,200,356,369); and one N(9,28) atom. The C(108,199,355,368)-C(109,200,356,369) bond length is 1.44 Å. The C(108,199,355,368)-N(9,28) bond length is 1.37 Å. In the fifth C site, C(109,200,356,369) is bonded in a distorted single-bond geometry to one C(108,199,355,368) and one H(42,77,137,142) atom. The C(109,200,356,369)-H(42,77,137,142) bond length is 0.93 Å. In the sixth C site, C(110,201,357,370) is bonded in a trigonal planar geometry to one C(107,354); one C(111,358); and one C(115,362) atom. The C(110,201,357,370)-C(111,358) bond length is 1.39 Å. The C(110,201,357,370)-C(115,362) bond length is 1.38 Å. In the seventh C site, C(111,358) is bonded in a distorted single-bond geometry to one C(110,201,357,370); one C(47,73,99,112,125,164,177,242,255,294,307,320,346,372,424,450,476,489,502,554,567,619,632,684,697,762,775,801,827); and one H(3,8,13,18,23,28,33,38,43,48,53,58,63,68,73,78,83,88,93,98,103,108,113,118,123,128,133,138,143,148,153,158,163,168,173,178,183,188,193,198,203,208,213,218,223,228,233,238,243,248,253,258,263,268,273,278,283,288,293,298,303,308,313,318) atom. The C(111,358)-C(47,73,99,112,125,164,177,242,255,294,307,320,346,372,424,450,476,489,502,554,567,619,632,684,697,762,775,801,827) bond length is 1.37 Å. The C(111,358)-H(3,8,13,18,23,28,33,38,43,48,53,58,63,68,73,78,83,88,93,98,103,108,113,118,123,128,133,138,143,148,153,158,163,168,173,178,183,188,193,198,203,208,213,218,223,228,233,238,243,248,253,258,263,268,273,278,283,288,293,298,303,308,313,318) bond length is 0.93 Å. In the eighth C site, C(115,362) is bonded in a distorted single-bond geometry to one C(10,23,36,49,62,75,88,101,114,127,140,153,166,179,192,205,218,231,244,257,270,283,296,309,322,335,348,361,374,387,400,413,426,439,452,465,478,491,504,517,530,543,556,569,582,595,608,621,634,647,660,673,686,699,712,725,738,751,764,777,790,803,816,829); one C(110,201,357,370); and one H(5,10,15,20,25,30,35,40,45,50,55,60,65,70,75,80,85,90,95,100,105,110,115,120,125,130,135,140,145,150,155,160,165,170,175,180,185,190,195,200,205,210,215,220,225,230,235,240,245,250,255,260,265,270,275,280,285,290,295,300,305,310,315,320) atom. The C(115,362)-C(10,23,36,49,62,75,88,101,114,127,140,153,166,179,192,205,218,231,244,257,270,283,296,309,322,335,348,361,374,387,400,413,426,439,452,465,478,491,504,517,530,543,556,569,582,595,608,621,634,647,660,673,686,699,712,725,738,751,764,777,790,803,816,829) bond length is 1.38 Å. The C(115,362)-H(5,10,15,20,25,30,35,40,45,50,55,60,65,70,75,80,85,90,95,100,105,110,115,120,125,130,135,140,145,150,155,160,165,170,175,180,185,190,195,200,205,210,215,220,225,230,235,240,245,250,255,260,265,270,275,280,285,290,295,300,305,310,315,320) bond length is 0.93 Å. In the ninth C site, C(120,263,302,328,406,471,510,614,822) is bonded in a trigonal planar geometry to one C(121,134,173,186,212,251,264,303,316,329,342,381,394,407,420,433,446,459,472,485,498,511,524,615,641,654,693,706,732,823); one C(123,136,175,188,214,253,266,305,318,331,344,383,396,409,422,435,448,461,474,487,500,513,526,617,643,656,695,708,734,825); and one C(15,41,67,93,132,184,197,210,223,262,275,314,340,392,418,444,470,496,522,535,587,613,652,665,704,717,730,743,795,821) atom. The C(120,263,302,328,406,471,510,614,822)-C(121,134,173,186,212,251,264,303,316,329,342,381,394,407,420,433,446,459,472,485,498,511,524,615,641,654,693,706,732,823) bond length is 1.39 Å. The C(120,263,302,328,406,471,510,614,822)-C(123,136,175,188,214,253,266,305,318,331,344,383,396,409,422,435,448,461,474,487,500,513,526,617,643,656,695,708,734,825) bond length is 1.49 Å. The C(120,263,302,328,406,471,510,614,822)-C(15,41,67,93,132,184,197,210,223,262,275,314,340,392,418,444,470,496,522,535,587,613,652,665,704,717,730,743,795,821) bond length is 1.39 Å. In the tenth C site, C(121,134,173,186,212,251,264,303,316,329,342,381,394,407,420,433,446,459,472,485,498,511,524,615,641,654,693,706,732,823) is bonded in a distorted trigonal planar geometry to one C(120,263,302,328,406,471,510,614,822); one C(122,135,174,187,213,252,265,304,317,330,343,382,395,408,421,434,447,460,473,486,499,512,525,616,642,655,694,707,733,824); and one N(10,11,17,20,25,26,27,33,34,35,36,41,50,51,57) atom. The C(121,134,173,186,212,251,264,303,316,329,342,381,394,407,420,433,446,459,472,485,498,511,524,615,641,654,693,706,732,823)-C(122,135,174,187,213,252,265,304,317,330,343,382,395,408,421,434,447,460,473,486,499,512,525,616,642,655,694,707,733,824) bond length is 1.44 Å. The C(121,134,173,186,212,251,264,303,316,329,342,381,394,407,420,433,446,459,472,485,498,511,524,615,641,654,693,706,732,823)-N(10,11,17,20,25,26,27,33,34,35,36,41,50,51,57) bond length is 1.37 Å. In the eleventh C site, C(122,135,174,187,213,252,265,304,317,330,343,382,395,408,421,434,447,460,473,486,499,512,525,616,642,655,694,707,733,824) is bonded in a distorted single-bond geometry to one C(121,134,173,186,212,251,264,303,316,329,342,381,394,407,420,433,446,459,472,485,498,511,524,615,641,654,693,706,732,823) and one H(47,52,67,72,82,97,102,117,122,127,132,147,152,157,162,167,172,177,182,187,192,197,202,237,247,252,267,272,282,317) atom. The C(122,135,174,187,213,252,265,304,317,330,343,382,395,408,421,434,447,460,473,486,499,512,525,616,642,655,694,707,733,824)-H(47,52,67,72,82,97,102,117,122,127,132,147,152,157,162,167,172,177,182,187,192,197,202,237,247,252,267,272,282,317) bond length is 0.93 Å. In the twelfth C site, C(123,136,175,188,214,253,266,305,318,331,344,383,396,409,422,435,448,461,474,487,500,513,526,617,643,656,695,708,734,825) is bonded in a trigonal planar geometry to one C(120,263,302,328,406,471,510,614,822); one C(124,267,306,332,410,475,514,618,826); and one C(128,271,310,336,414,479,518,622,830) atom. The C(123,136,175,188,214,253,266,305,318,331,344,383,396,409,422,435,448,461,474,487,500,513,526,617,643,656,695,708,734,825)-C(124,267,306,332,410,475,514,618,826) bond length is 1.39 Å. The C(123,136,175,188,214,253,266,305,318,331,344,383,396,409,422,435,448,461,474,487,500,513,526,617,643,656,695,708,734,825)-C(128,271,310,336,414,479,518,622,830) bond length is 1.38 Å. In the thirteenth C site, C(124,267,306,332,410,475,514,618,826) is bonded in a distorted single-bond geometry to one C(123,136,175,188,214,253,266,305,318,331,344,383,396,409,422,435,448,461,474,487,500,513,526,617,643,656,695,708,734,825); one C(47,73,99,112,125,164,177,242,255,294,307,320,346,372,424,450,476,489,502,554,567,619,632,684,697,762,775,801,827); and one H(3,8,13,18,23,28,33,38,43,48,53,58,63,68,73,78,83,88,93,98,103,108,113,118,123,128,133,138,143,148,153,158,163,168,173,178,183,188,193,198,203,208,213,218,223,228,233,238,243,248,253,258,263,268,273,278,283,288,293,298,303,308,313,318) atom. The C(124,267,306,332,410,475,514,618,826)-C(47,73,99,112,125,164,177,242,255,294,307,320,346,372,424,450,476,489,502,554,567,619,632,684,697,762,775,801,827) bond length is 1.37 Å. The C(124,267,306,332,410,475,514,618,826)-H(3,8,13,18,23,28,33,38,43,48,53,58,63,68,73,78,83,88,93,98,103,108,113,118,123,128,133,138,143,148,153,158,163,168,173,178,183,188,193,198,203,208,213,218,223,228,233,238,243,248,253,258,263,268,273,278,283,288,293,298,303,308,313,318) bond length is 0.93 Å. In the fourteenth C site, C(128,271,310,336,414,479,518,622,830) is bonded in a distorted single-bond geometry to one C(10,23,36,49,62,75,88,101,114,127,140,153,166,179,192,205,218,231,244,257,270,283,296,309,322,335,348,361,374,387,400,413,426,439,452,465,478,491,504,517,530,543,556,569,582,595,608,621,634,647,660,673,686,699,712,725,738,751,764,777,790,803,816,829); one C(123,136,175,188,214,253,266,305,318,331,344,383,396,409,422,435,448,461,474,487,500,513,526,617,643,656,695,708,734,825); and one H(5,10,15,20,25,30,35,40,45,50,55,60,65,70,75,80,85,90,95,100,105,110,115,120,125,130,135,140,145,150,155,160,165,170,175,180,185,190,195,200,205,210,215,220,225,230,235,240,245,250,255,260,265,270,275,280,285,290,295,300,305,310,315,320) atom. The C(128,271,310,336,414,479,518,622,830)-C(10,23,36,49,62,75,88,101,114,127,140,153,166,179,192,205,218,231,244,257,270,283,296,309,322,335,348,361,374,387,400,413,426,439,452,465,478,491,504,517,530,543,556,569,582,595,608,621,634,647,660,673,686,699,712,725,738,751,764,777,790,803,816,829) bond length is 1.38 Å. The C(128,271,310,336,414,479,518,622,830)-H(5,10,15,20,25,30,35,40,45,50,55,60,65,70,75,80,85,90,95,100,105,110,115,120,125,130,135,140,145,150,155,160,165,170,175,180,185,190,195,200,205,210,215,220,225,230,235,240,245,250,255,260,265,270,275,280,285,290,295,300,305,310,315,320) bond length is 0.93 Å. In the fifteenth C site, C(133,172,185,211,250,315,341,380,393,419,432,445,458,484,497,523,640,653,692,705,731) is bonded in a trigonal planar geometry to one C(121,134,173,186,212,251,264,303,316,329,342,381,394,407,420,433,446,459,472,485,498,511,524,615,641,654,693,706,732,823); one C(123,136,175,188,214,253,266,305,318,331,344,383,396,409,422,435,448,461,474,487,500,513,526,617,643,656,695,708,734,825); and one C(15,41,67,93,132,184,197,210,223,262,275,314,340,392,418,444,470,496,522,535,587,613,652,665,704,717,730,743,795,821) atom. The C(133,172,185,211,250,315,341,380,393,419,432,445,458,484,497,523,640,653,692,705,731)-C(121,134,173,186,212,251,264,303,316,329,342,381,394,407,420,433,446,459,472,485,498,511,524,615,641,654,693,706,732,823) bond length is 1.39 Å. The C(133,172,185,211,250,315,341,380,393,419,432,445,458,484,497,523,640,653,692,705,731)-C(123,136,175,188,214,253,266,305,318,331,344,383,396,409,422,435,448,461,474,487,500,513,526,617,643,656,695,708,734,825) bond length is 1.49 Å. The C(133,172,185,211,250,315,341,380,393,419,432,445,458,484,497,523,640,653,692,705,731)-C(15,41,67,93,132,184,197,210,223,262,275,314,340,392,418,444,470,496,522,535,587,613,652,665,704,717,730,743,795,821) bond length is 1.39 Å. In the sixteenth C site, C(137,176,189,215,254,319,345,384,397,423,436,449,462,488,501,527,644,657,696,709,735) is bonded in a distorted single-bond geometry to one C(123,136,175,188,214,253,266,305,318,331,344,383,396,409,422,435,448,461,474,487,500,513,526,617,643,656,695,708,734,825); one C(8,34,60,86,138,151,190,203,216,268,281,359,385,398,411,463,515,528,541,580,593,606,658,671,710,723,736,788,814); and one H(3,8,13,18,23,28,33,38,43,48,53,58,63,68,73,78,83,88,93,98,103,108,113,118,123,128,133,138,143,148,153,158,163,168,173,178,183,188,193,198,203,208,213,218,223,228,233,238,243,248,253,258,263,268,273,278,283,288,293,298,303,308,313,318) atom. The C(137,176,189,215,254,319,345,384,397,423,436,449,462,488,501,527,644,657,696,709,735)-C(123,136,175,188,214,253,266,305,318,331,344,383,396,409,422,435,448,461,474,487,500,513,526,617,643,656,695,708,734,825) bond length is 1.39 Å. The C(137,176,189,215,254,319,345,384,397,423,436,449,462,488,501,527,644,657,696,709,735)-C(8,34,60,86,138,151,190,203,216,268,281,359,385,398,411,463,515,528,541,580,593,606,658,671,710,723,736,788,814) bond length is 1.37 Å. The C(137,176,189,215,254,319,345,384,397,423,436,449,462,488,501,527,644,657,696,709,735)-H(3,8,13,18,23,28,33,38,43,48,53,58,63,68,73,78,83,88,93,98,103,108,113,118,123,128,133,138,143,148,153,158,163,168,173,178,183,188,193,198,203,208,213,218,223,228,233,238,243,248,253,258,263,268,273,278,283,288,293,298,303,308,313,318) bond length is 0.93 Å. In the seventeenth C site, C(141,180,193,219,258,323,349,388,401,427,440,453,466,492,505,531,648,661,700,713,739) is bonded in a distorted single-bond geometry to one C(10,23,36,49,62,75,88,101,114,127,140,153,166,179,192,205,218,231,244,257,270,283,296,309,322,335,348,361,374,387,400,413,426,439,452,465,478,491,504,517,530,543,556,569,582,595,608,621,634,647,660,673,686,699,712,725,738,751,764,777,790,803,816,829); one C(123,136,175,188,214,253,266,305,318,331,344,383,396,409,422,435,448,461,474,487,500,513,526,617,643,656,695,708,734,825); and one H(5,10,15,20,25,30,35,40,45,50,55,60,65,70,75,80,85,90,95,100,105,110,115,120,125,130,135,140,145,150,155,160,165,170,175,180,185,190,195,200,205,210,215,220,225,230,235,240,245,250,255,260,265,270,275,280,285,290,295,300,305,310,315,320) atom. The C(141,180,193,219,258,323,349,388,401,427,440,453,466,492,505,531,648,661,700,713,739)-C(10,23,36,49,62,75,88,101,114,127,140,153,166,179,192,205,218,231,244,257,270,283,296,309,322,335,348,361,374,387,400,413,426,439,452,465,478,491,504,517,530,543,556,569,582,595,608,621,634,647,660,673,686,699,712,725,738,751,764,777,790,803,816,829) bond length is 1.38 Å. The C(141,180,193,219,258,323,349,388,401,427,440,453,466,492,505,531,648,661,700,713,739)-C(123,136,175,188,214,253,266,305,318,331,344,383,396,409,422,435,448,461,474,487,500,513,526,617,643,656,695,708,734,825) bond length is 1.38 Å. The C(141,180,193,219,258,323,349,388,401,427,440,453,466,492,505,531,648,661,700,713,739)-H(5,10,15,20,25,30,35,40,45,50,55,60,65,70,75,80,85,90,95,100,105,110,115,120,125,130,135,140,145,150,155,160,165,170,175,180,185,190,195,200,205,210,215,220,225,230,235,240,245,250,255,260,265,270,275,280,285,290,295,300,305,310,315,320) bond length is 0.93 Å. In the eighteenth C site, C(198,367) is bonded in a trigonal planar geometry to one C(106,145,366,405); one C(108,199,355,368); and one C(110,201,357,370) atom. The C(198,367)-C(106,145,366,405) bond length is 1.39 Å. The C(198,367)-C(108,199,355,368) bond length is 1.39 Å. The C(198,367)-C(110,201,357,370) bond length is 1.49 Å. In the nineteenth C site, C(202,371) is bonded in a distorted single-bond geometry to one C(110,201,357,370); one C(8,34,60,86,138,151,190,203,216,268,281,359,385,398,411,463,515,528,541,580,593,606,658,671,710,723,736,788,814); and one H(3,8,13,18,23,28,33,38,43,48,53,58,63,68,73,78,83,88,93,98,103,108,113,118,123,128,133,138,143,148,153,158,163,168,173,178,183,188,193,198,203,208,213,218,223,228,233,238,243,248,253,258,263,268,273,278,283,288,293,298,303,308,313,318) atom. The C(202,371)-C(110,201,357,370) bond length is 1.39 Å. The C(202,371)-C(8,34,60,86,138,151,190,203,216,268,281,359,385,398,411,463,515,528,541,580,593,606,658,671,710,723,736,788,814) bond length is 1.37 Å. The C(202,371)-H(3,8,13,18,23,28,33,38,43,48,53,58,63,68,73,78,83,88,93,98,103,108,113,118,123,128,133,138,143,148,153,158,163,168,173,178,183,188,193,198,203,208,213,218,223,228,233,238,243,248,253,258,263,268,273,278,283,288,293,298,303,308,313,318) bond length is 0.93 Å. In the twentieth C site, C(206,375) is bonded in a distorted single-bond geometry to one C(10,23,36,49,62,75,88,101,114,127,140,153,166,179,192,205,218,231,244,257,270,283,296,309,322,335,348,361,374,387,400,413,426,439,452,465,478,491,504,517,530,543,556,569,582,595,608,621,634,647,660,673,686,699,712,725,738,751,764,777,790,803,816,829); one C(110,201,357,370); and one H(5,10,15,20,25,30,35,40,45,50,55,60,65,70,75,80,85,90,95,100,105,110,115,120,125,130,135,140,145,150,155,160,165,170,175,180,185,190,195,200,205,210,215,220,225,230,235,240,245,250,255,260,265,270,275,280,285,290,295,300,305,310,315,320) atom. The C(206,375)-C(10,23,36,49,62,75,88,101,114,127,140,153,166,179,192,205,218,231,244,257,270,283,296,309,322,335,348,361,374,387,400,413,426,439,452,465,478,491,504,517,530,543,556,569,582,595,608,621,634,647,660,673,686,699,712,725,738,751,764,777,790,803,816,829) bond length is 1.38 Å. The C(206,375)-C(110,201,357,370) bond length is 1.38 Å. The C(206,375)-H(5,10,15,20,25,30,35,40,45,50,55,60,65,70,75,80,85,90,95,100,105,110,115,120,125,130,135,140,145,150,155,160,165,170,175,180,185,190,195,200,205,210,215,220,225,230,235,240,245,250,255,260,265,270,275,280,285,290,295,300,305,310,315,320) bond length is 0.93 Å. In the twenty-first C site, C(749) is bonded in a trigonal planar geometry to one C(51,77,350,376,428,454,480,506,753,779,805,831); one C(59,98,163,540,579,683,722,748,787); and one C(61,100,126,165,204,269,308,334,373,412,477,516,542,581,620,685,724,750,789,828) atom. The C(749)-C(51,77,350,376,428,454,480,506,753,779,805,831) bond length is 1.51 Å. The C(749)-C(59,98,163,540,579,683,722,748,787) bond length is 1.37 Å. The C(749)-C(61,100,126,165,204,269,308,334,373,412,477,516,542,581,620,685,724,750,789,828) bond length is 1.37 Å. In the twenty-second C site, C(1,27,53,79,118,157,170,235,248,287,300,326,352,378,430,456,482,508,547,560,573,599,625,638,677,690,755,768,781,807) is bonded in a distorted single-bond geometry to one C(2,28,54,80,119,158,171,236,249,288,301,327,353,379,431,457,483,509,548,561,574,600,626,639,678,691,756,769,782,808) and one H(1,11,21,31,46,61,66,91,96,111,116,126,136,146,166,176,186,196,211,216,221,231,241,246,261,266,291,296,301,311) atom. The C(1,27,53,79,118,157,170,235,248,287,300,326,352,378,430,456,482,508,547,560,573,599,625,638,677,690,755,768,781,807)-C(2,28,54,80,119,158,171,236,249,288,301,327,353,379,431,457,483,509,548,561,574,600,626,639,678,691,756,769,782,808) bond length is 1.43 Å. The C(1,27,53,79,118,157,170,235,248,287,300,326,352,378,430,456,482,508,547,560,573,599,625,638,677,690,755,768,781,807)-H(1,11,21,31,46,61,66,91,96,111,116,126,136,146,166,176,186,196,211,216,221,231,241,246,261,266,291,296,301,311) bond length is 0.93 Å. In the twenty-third C site, C(2,28,54,80,119,158,171,236,249,288,301,327,353,379,431,457,483,509,548,561,574,600,626,639,678,691,756,769,782,808) is bonded in a distorted trigonal planar geometry to one C(1,27,53,79,118,157,170,235,248,287,300,326,352,378,430,456,482,508,547,560,573,599,625,638,677,690,755,768,781,807); one C(3,16,29,42,68,81,146,224,237,276,289,549,562,588,601,627,666,757,770,796,809); and one N(5,6,7,8,15,22,24,46,47,48,53,55,62,63,64) atom. The C(2,28,54,80,119,158,171,236,249,288,301,327,353,379,431,457,483,509,548,561,574,600,626,639,678,691,756,769,782,808)-C(3,16,29,42,68,81,146,224,237,276,289,549,562,588,601,627,666,757,770,796,809) bond length is 1.39 Å. The C(2,28,54,80,119,158,171,236,249,288,301,327,353,379,431,457,483,509,548,561,574,600,626,639,678,691,756,769,782,808)-N(5,6,7,8,15,22,24,46,47,48,53,55,62,63,64) bond length is 1.36 Å. In the twenty-fourth C site, C(3,16,29,42,68,81,146,224,237,276,289,549,562,588,601,627,666,757,770,796,809) is bonded in a trigonal planar geometry to one C(2,28,54,80,119,158,171,236,249,288,301,327,353,379,431,457,483,509,548,561,574,600,626,639,678,691,756,769,782,808); one C(4,17,30,43,56,69,82,95,147,160,225,238,277,290,537,550,563,576,589,602,628,667,680,719,745,758,771,784,797,810); and one C(6,19,32,45,58,71,84,97,149,162,227,240,279,292,539,552,565,578,591,604,630,669,682,721,747,760,773,786,799,812) atom. The C(3,16,29,42,68,81,146,224,237,276,289,549,562,588,601,627,666,757,770,796,809)-C(4,17,30,43,56,69,82,95,147,160,225,238,277,290,537,550,563,576,589,602,628,667,680,719,745,758,771,784,797,810) bond length is 1.39 Å. The C(3,16,29,42,68,81,146,224,237,276,289,549,562,588,601,627,666,757,770,796,809)-C(6,19,32,45,58,71,84,97,149,162,227,240,279,292,539,552,565,578,591,604,630,669,682,721,747,760,773,786,799,812) bond length is 1.49 Å. In the twenty-fifth C site, C(4,17,30,43,56,69,82,95,147,160,225,238,277,290,537,550,563,576,589,602,628,667,680,719,745,758,771,784,797,810) is bonded in a distorted trigonal planar geometry to one C(3,16,29,42,68,81,146,224,237,276,289,549,562,588,601,627,666,757,770,796,809); one C(5,18,31,44,57,70,83,96,148,161,226,239,278,291,538,551,564,577,590,603,629,668,681,720,746,759,772,785,798,811); and one N(1,2,3,4,12,18,19,42,43,44,49,52,58,59,60) atom. The C(4,17,30,43,56,69,82,95,147,160,225,238,277,290,537,550,563,576,589,602,628,667,680,719,745,758,771,784,797,810)-C(5,18,31,44,57,70,83,96,148,161,226,239,278,291,538,551,564,577,590,603,629,668,681,720,746,759,772,785,798,811) bond length is 1.44 Å. The C(4,17,30,43,56,69,82,95,147,160,225,238,277,290,537,550,563,576,589,602,628,667,680,719,745,758,771,784,797,810)-N(1,2,3,4,12,18,19,42,43,44,49,52,58,59,60) bond length is 1.37 Å. In the twenty-sixth C site, C(5,18,31,44,57,70,83,96,148,161,226,239,278,291,538,551,564,577,590,603,629,668,681,720,746,759,772,785,798,811) is bonded in a distorted single-bond geometry to one C(4,17,30,43,56,69,82,95,147,160,225,238,277,290,537,550,563,576,589,602,628,667,680,719,745,758,771,784,797,810) and one H(2,7,12,17,22,27,32,37,57,62,87,92,107,112,207,212,217,222,227,232,242,257,262,277,287,292,297,302,307,312) atom. The C(5,18,31,44,57,70,83,96,148,161,226,239,278,291,538,551,564,577,590,603,629,668,681,720,746,759,772,785,798,811)-H(2,7,12,17,22,27,32,37,57,62,87,92,107,112,207,212,217,222,227,232,242,257,262,277,287,292,297,302,307,312) bond length is 0.93 Å. In the twenty-seventh C site, C(6,19,32,45,58,71,84,97,149,162,227,240,279,292,539,552,565,578,591,604,630,669,682,721,747,760,773,786,799,812) is bonded in a trigonal planar geometry to one C(11,24,37,50,76,89,154,232,245,284,297,557,570,596,609,635,674,765,778,804,817); one C(3,16,29,42,68,81,146,224,237,276,289,549,562,588,601,627,666,757,770,796,809); and one C(7,20,33,46,72,85,150,228,241,280,293,553,566,592,605,631,670,761,774,800,813) atom. The C(6,19,32,45,58,71,84,97,149,162,227,240,279,292,539,552,565,578,591,604,630,669,682,721,747,760,773,786,799,812)-C(11,24,37,50,76,89,154,232,245,284,297,557,570,596,609,635,674,765,778,804,817) bond length is 1.38 Å. The C(6,19,32,45,58,71,84,97,149,162,227,240,279,292,539,552,565,578,591,604,630,669,682,721,747,760,773,786,799,812)-C(7,20,33,46,72,85,150,228,241,280,293,553,566,592,605,631,670,761,774,800,813) bond length is 1.39 Å. In the twenty-eighth C site, C(7,20,33,46,72,85,150,228,241,280,293,553,566,592,605,631,670,761,774,800,813) is bonded in a distorted single-bond geometry to one C(6,19,32,45,58,71,84,97,149,162,227,240,279,292,539,552,565,578,591,604,630,669,682,721,747,760,773,786,799,812); one C(8,34,60,86,138,151,190,203,216,268,281,359,385,398,411,463,515,528,541,580,593,606,658,671,710,723,736,788,814); and one H(3,8,13,18,23,28,33,38,43,48,53,58,63,68,73,78,83,88,93,98,103,108,113,118,123,128,133,138,143,148,153,158,163,168,173,178,183,188,193,198,203,208,213,218,223,228,233,238,243,248,253,258,263,268,273,278,283,288,293,298,303,308,313,318) atom. The C(7,20,33,46,72,85,150,228,241,280,293,553,566,592,605,631,670,761,774,800,813)-C(8,34,60,86,138,151,190,203,216,268,281,359,385,398,411,463,515,528,541,580,593,606,658,671,710,723,736,788,814) bond length is 1.37 Å. The C(7,20,33,46,72,85,150,228,241,280,293,553,566,592,605,631,670,761,774,800,813)-H(3,8,13,18,23,28,33,38,43,48,53,58,63,68,73,78,83,88,93,98,103,108,113,118,123,128,133,138,143,148,153,158,163,168,173,178,183,188,193,198,203,208,213,218,223,228,233,238,243,248,253,258,263,268,273,278,283,288,293,298,303,308,313,318) bond length is 0.93 Å. In the twenty-ninth C site, C(8,34,60,86,138,151,190,203,216,268,281,359,385,398,411,463,515,528,541,580,593,606,658,671,710,723,736,788,814) is bonded in a trigonal planar geometry to one C(12,38,64,90,337,363,389,415,441,519,532,610,649,727,740,818); one C(7,20,33,46,72,85,150,228,241,280,293,553,566,592,605,631,670,761,774,800,813); and one C(9,22,35,48,74,87,113,139,152,178,191,217,230,243,256,282,295,321,347,360,386,399,425,438,451,464,490,503,529,555,568,594,607,633,646,659,672,698,711,737,763,776,802,815) atom. The C(8,34,60,86,138,151,190,203,216,268,281,359,385,398,411,463,515,528,541,580,593,606,658,671,710,723,736,788,814)-C(12,38,64,90,337,363,389,415,441,519,532,610,649,727,740,818) bond length is 1.51 Å. The C(8,34,60,86,138,151,190,203,216,268,281,359,385,398,411,463,515,528,541,580,593,606,658,671,710,723,736,788,814)-C(9,22,35,48,74,87,113,139,152,178,191,217,230,243,256,282,295,321,347,360,386,399,425,438,451,464,490,503,529,555,568,594,607,633,646,659,672,698,711,737,763,776,802,815) bond length is 1.37 Å. In the thirtieth C site, C(9,22,35,48,74,87,113,139,152,178,191,217,230,243,256,282,295,321,347,360,386,399,425,438,451,464,490,503,529,555,568,594,607,633,646,659,672,698,711,737,763,776,802,815) is bonded in a distorted trigonal planar geometry to one C(10,23,36,49,62,75,88,101,114,127,140,153,166,179,192,205,218,231,244,257,270,283,296,309,322,335,348,361,374,387,400,413,426,439,452,465,478,491,504,517,530,543,556,569,582,595,608,621,634,647,660,673,686,699,712,725,738,751,764,777,790,803,816,829); one C(8,34,60,86,138,151,190,203,216,268,281,359,385,398,411,463,515,528,541,580,593,606,658,671,710,723,736,788,814); and one H(4,9,14,19,24,29,34,39,44,49,54,59,64,69,74,79,84,89,94,99,104,109,114,119,124,129,134,139,144,149,154,159,164,169,174,179,184,189,194,199,204,209,214,219,224,229,234,239,244,249,254,259,264,269,274,279,284,289,294,299,304,309,314,319) atom. The C(9,22,35,48,74,87,113,139,152,178,191,217,230,243,256,282,295,321,347,360,386,399,425,438,451,464,490,503,529,555,568,594,607,633,646,659,672,698,711,737,763,776,802,815)-C(10,23,36,49,62,75,88,101,114,127,140,153,166,179,192,205,218,231,244,257,270,283,296,309,322,335,348,361,374,387,400,413,426,439,452,465,478,491,504,517,530,543,556,569,582,595,608,621,634,647,660,673,686,699,712,725,738,751,764,777,790,803,816,829) bond length is 1.39 Å. The C(9,22,35,48,74,87,113,139,152,178,191,217,230,243,256,282,295,321,347,360,386,399,425,438,451,464,490,503,529,555,568,594,607,633,646,659,672,698,711,737,763,776,802,815)-H(4,9,14,19,24,29,34,39,44,49,54,59,64,69,74,79,84,89,94,99,104,109,114,119,124,129,134,139,144,149,154,159,164,169,174,179,184,189,194,199,204,209,214,219,224,229,234,239,244,249,254,259,264,269,274,279,284,289,294,299,304,309,314,319) bond length is 0.93 Å. In the thirty-first C site, C(10,23,36,49,62,75,88,101,114,127,140,153,166,179,192,205,218,231,244,257,270,283,296,309,322,335,348,361,374,387,400,413,426,439,452,465,478,491,504,517,530,543,556,569,582,595,608,621,634,647,660,673,686,699,712,725,738,751,764,777,790,803,816,829) is bonded in a trigonal planar geometry to one C(11,24,37,50,76,89,154,232,245,284,297,557,570,596,609,635,674,765,778,804,817); one C(13,26,39,52,78,91,117,143,156,182,195,221,234,247,260,286,299,325,351,364,390,403,429,442,455,468,494,507,533,559,572,598,611,637,650,663,676,702,715,741,767,780,806,819); and one C(9,22,35,48,74,87,113,139,152,178,191,217,230,243,256,282,295,321,347,360,386,399,425,438,451,464,490,503,529,555,568,594,607,633,646,659,672,698,711,737,763,776,802,815) atom. The C(10,23,36,49,62,75,88,101,114,127,140,153,166,179,192,205,218,231,244,257,270,283,296,309,322,335,348,361,374,387,400,413,426,439,452,465,478,491,504,517,530,543,556,569,582,595,608,621,634,647,660,673,686,699,712,725,738,751,764,777,790,803,816,829)-C(11,24,37,50,76,89,154,232,245,284,297,557,570,596,609,635,674,765,778,804,817) bond length is 1.38 Å. The C(10,23,36,49,62,75,88,101,114,127,140,153,166,179,192,205,218,231,244,257,270,283,296,309,322,335,348,361,374,387,400,413,426,439,452,465,478,491,504,517,530,543,556,569,582,595,608,621,634,647,660,673,686,699,712,725,738,751,764,777,790,803,816,829)-C(13,26,39,52,78,91,117,143,156,182,195,221,234,247,260,286,299,325,351,364,390,403,429,442,455,468,494,507,533,559,572,598,611,637,650,663,676,702,715,741,767,780,806,819) bond length is 1.50 Å. In the thirty-second C site, C(11,24,37,50,76,89,154,232,245,284,297,557,570,596,609,635,674,765,778,804,817) is bonded in a distorted single-bond geometry to one C(10,23,36,49,62,75,88,101,114,127,140,153,166,179,192,205,218,231,244,257,270,283,296,309,322,335,348,361,374,387,400,413,426,439,452,465,478,491,504,517,530,543,556,569,582,595,608,621,634,647,660,673,686,699,712,725,738,751,764,777,790,803,816,829); one C(6,19,32,45,58,71,84,97,149,162,227,240,279,292,539,552,565,578,591,604,630,669,682,721,747,760,773,786,799,812); and one H(5,10,15,20,25,30,35,40,45,50,55,60,65,70,75,80,85,90,95,100,105,110,115,120,125,130,135,140,145,150,155,160,165,170,175,180,185,190,195,200,205,210,215,220,225,230,235,240,245,250,255,260,265,270,275,280,285,290,295,300,305,310,315,320) atom. The C(11,24,37,50,76,89,154,232,245,284,297,557,570,596,609,635,674,765,778,804,817)-H(5,10,15,20,25,30,35,40,45,50,55,60,65,70,75,80,85,90,95,100,105,110,115,120,125,130,135,140,145,150,155,160,165,170,175,180,185,190,195,200,205,210,215,220,225,230,235,240,245,250,255,260,265,270,275,280,285,290,295,300,305,310,315,320) bond length is 0.93 Å. In the thirty-third C site, C(12,38,64,90,337,363,389,415,441,519,532,610,649,727,740,818) is bonded in a distorted bent 120 degrees geometry to one C(8,34,60,86,138,151,190,203,216,268,281,359,385,398,411,463,515,528,541,580,593,606,658,671,710,723,736,788,814); one O(1,9,17,25,41,45,57,61,65,81,85,109,117,121,141,161,165,177,181,185,201,205,217,225,241,249); and one O(2,10,18,26,110,118,126,158,162,186,222,226,250) atom. The C(12,38,64,90,337,363,389,415,441,519,532,610,649,727,740,818)-O(1,9,17,25,41,45,57,61,65,81,85,109,117,121,141,161,165,177,181,185,201,205,217,225,241,249) bond length is 1.23 Å. The C(12,38,64,90,337,363,389,415,441,519,532,610,649,727,740,818)-O(2,10,18,26,110,118,126,158,162,186,222,226,250) bond length is 1.24 Å. In the thirty-fourth C site, C(13,26,39,52,78,91,117,143,156,182,195,221,234,247,260,286,299,325,351,364,390,403,429,442,455,468,494,507,533,559,572,598,611,637,650,663,676,702,715,741,767,780,806,819) is bonded in a distorted bent 120 degrees geometry to one C(10,23,36,49,62,75,88,101,114,127,140,153,166,179,192,205,218,231,244,257,270,283,296,309,322,335,348,361,374,387,400,413,426,439,452,465,478,491,504,517,530,543,556,569,582,595,608,621,634,647,660,673,686,699,712,725,738,751,764,777,790,803,816,829); one O(3,7,11,15,19,23,27,31,35,39,43,47,51,55,59,63,67,71,75,79,83,87,91,95,99,103,107,111,115,119,123,127,131,135,139,143,147,151,155,159,163,167,171,175,179,183,187,191,195,199,203,207,211,215,219,223,227,231,235,239,243,247,251,255); and one O(4,8,12,20,28,32,36,40,44,52,60,64,72,76,80,84,92,96,100,104,108,112,116,124,128,132,136,140,148,156,160,164,168,172,180,188,192,200,204,208,212,220,224,228,232,236,240,244,252,256) atom. The C(13,26,39,52,78,91,117,143,156,182,195,221,234,247,260,286,299,325,351,364,390,403,429,442,455,468,494,507,533,559,572,598,611,637,650,663,676,702,715,741,767,780,806,819)-O(3,7,11,15,19,23,27,31,35,39,43,47,51,55,59,63,67,71,75,79,83,87,91,95,99,103,107,111,115,119,123,127,131,135,139,143,147,151,155,159,163,167,171,175,179,183,187,191,195,199,203,207,211,215,219,223,227,231,235,239,243,247,251,255) bond length is 1.24 Å. The C(13,26,39,52,78,91,117,143,156,182,195,221,234,247,260,286,299,325,351,364,390,403,429,442,455,468,494,507,533,559,572,598,611,637,650,663,676,702,715,741,767,780,806,819)-O(4,8,12,20,28,32,36,40,44,52,60,64,72,76,80,84,92,96,100,104,108,112,116,124,128,132,136,140,148,156,160,164,168,172,180,188,192,200,204,208,212,220,224,228,232,236,240,244,252,256) bond length is 1.25 Å. In the thirty-fifth C site, C(14,40,66,92,131,183,196,209,222,261,274,313,339,391,417,443,469,495,521,534,586,612,651,664,703,716,729,742,794,820) is bonded in a distorted single-bond geometry to one C(15,41,67,93,132,184,197,210,223,262,275,314,340,392,418,444,470,496,522,535,587,613,652,665,704,717,730,743,795,821) and one H(6,16,26,36,51,71,76,81,86,101,106,121,131,151,161,171,181,191,201,206,226,236,251,256,271,276,281,286,306,316) atom. The C(14,40,66,92,131,183,196,209,222,261,274,313,339,391,417,443,469,495,521,534,586,612,651,664,703,716,729,742,794,820)-C(15,41,67,93,132,184,197,210,223,262,275,314,340,392,418,444,470,496,522,535,587,613,652,665,704,717,730,743,795,821) bond length is 1.43 Å. The C(14,40,66,92,131,183,196,209,222,261,274,313,339,391,417,443,469,495,521,534,586,612,651,664,703,716,729,742,794,820)-H(6,16,26,36,51,71,76,81,86,101,106,121,131,151,161,171,181,191,201,206,226,236,251,256,271,276,281,286,306,316) bond length is 0.93 Å. In the thirty-sixth C site, C(15,41,67,93,132,184,197,210,223,262,275,314,340,392,418,444,470,496,522,535,587,613,652,665,704,717,730,743,795,821) is bonded in a distorted trigonal planar geometry to one C(120,263,302,328,406,471,510,614,822); one C(14,40,66,92,131,183,196,209,222,261,274,313,339,391,417,443,469,495,521,534,586,612,651,664,703,716,729,742,794,820); and one N(5,6,7,8,15,22,24,46,47,48,53,55,62,63,64) atom. The C(15,41,67,93,132,184,197,210,223,262,275,314,340,392,418,444,470,496,522,535,587,613,652,665,704,717,730,743,795,821)-N(5,6,7,8,15,22,24,46,47,48,53,55,62,63,64) bond length is 1.36 Å. In the thirty-seventh C site, C(21,229,333,437,645) is bonded in a trigonal planar geometry to one C(25,103,116,129,142,155,168,181,194,207,220,233,246,259,272,285,298,311,324,402,467,493,545,558,571,584,597,623,636,662,675,688,701,714,766,792); one C(7,20,33,46,72,85,150,228,241,280,293,553,566,592,605,631,670,761,774,800,813); and one C(9,22,35,48,74,87,113,139,152,178,191,217,230,243,256,282,295,321,347,360,386,399,425,438,451,464,490,503,529,555,568,594,607,633,646,659,672,698,711,737,763,776,802,815) atom. The C(21,229,333,437,645)-C(25,103,116,129,142,155,168,181,194,207,220,233,246,259,272,285,298,311,324,402,467,493,545,558,571,584,597,623,636,662,675,688,701,714,766,792) bond length is 1.51 Å. The C(21,229,333,437,645)-C(7,20,33,46,72,85,150,228,241,280,293,553,566,592,605,631,670,761,774,800,813) bond length is 1.37 Å. The C(21,229,333,437,645)-C(9,22,35,48,74,87,113,139,152,178,191,217,230,243,256,282,295,321,347,360,386,399,425,438,451,464,490,503,529,555,568,594,607,633,646,659,672,698,711,737,763,776,802,815) bond length is 1.37 Å. In the thirty-eighth C site, C(25,103,116,129,142,155,168,181,194,207,220,233,246,259,272,285,298,311,324,402,467,493,545,558,571,584,597,623,636,662,675,688,701,714,766,792) is bonded in a distorted bent 120 degrees geometry to one C(21,229,333,437,645); one O(5,69,101,125,133,157,197,221); and one O(6,42,62,70,82,178,202,242) atom. The C(25,103,116,129,142,155,168,181,194,207,220,233,246,259,272,285,298,311,324,402,467,493,545,558,571,584,597,623,636,662,675,688,701,714,766,792)-O(5,69,101,125,133,157,197,221) bond length is 1.23 Å. The C(25,103,116,129,142,155,168,181,194,207,220,233,246,259,272,285,298,311,324,402,467,493,545,558,571,584,597,623,636,662,675,688,701,714,766,792)-O(6,42,62,70,82,178,202,242) bond length is 1.24 Å. In the thirty-ninth C site, C(47,73,99,112,125,164,177,242,255,294,307,320,346,372,424,450,476,489,502,554,567,619,632,684,697,762,775,801,827) is bonded in a trigonal planar geometry to one C(51,77,350,376,428,454,480,506,753,779,805,831); one C(7,20,33,46,72,85,150,228,241,280,293,553,566,592,605,631,670,761,774,800,813); and one C(9,22,35,48,74,87,113,139,152,178,191,217,230,243,256,282,295,321,347,360,386,399,425,438,451,464,490,503,529,555,568,594,607,633,646,659,672,698,711,737,763,776,802,815) atom. The C(47,73,99,112,125,164,177,242,255,294,307,320,346,372,424,450,476,489,502,554,567,619,632,684,697,762,775,801,827)-C(51,77,350,376,428,454,480,506,753,779,805,831) bond length is 1.51 Å. The C(47,73,99,112,125,164,177,242,255,294,307,320,346,372,424,450,476,489,502,554,567,619,632,684,697,762,775,801,827)-C(7,20,33,46,72,85,150,228,241,280,293,553,566,592,605,631,670,761,774,800,813) bond length is 1.37 Å. The C(47,73,99,112,125,164,177,242,255,294,307,320,346,372,424,450,476,489,502,554,567,619,632,684,697,762,775,801,827)-C(9,22,35,48,74,87,113,139,152,178,191,217,230,243,256,282,295,321,347,360,386,399,425,438,451,464,490,503,529,555,568,594,607,633,646,659,672,698,711,737,763,776,802,815) bond length is 1.37 Å. In the fortieth C site, C(51,77,350,376,428,454,480,506,753,779,805,831) is bonded in a distorted bent 120 degrees geometry to one C(47,73,99,112,125,164,177,242,255,294,307,320,346,372,424,450,476,489,502,554,567,619,632,684,697,762,775,801,827); one O(13,21,33,53,89,97,129,149,153,173,193,213,237,245); and one O(14,22,106,114,130,138,146,154,238,246,254) atom. The C(51,77,350,376,428,454,480,506,753,779,805,831)-O(13,21,33,53,89,97,129,149,153,173,193,213,237,245) bond length is 1.23 Å. The C(51,77,350,376,428,454,480,506,753,779,805,831)-O(14,22,106,114,130,138,146,154,238,246,254) bond length is 1.24 Å. In the forty-first C site, C(55,94,159,536,575,679,718,744,783) is bonded in a trigonal planar geometry to one C(2,28,54,80,119,158,171,236,249,288,301,327,353,379,431,457,483,509,548,561,574,600,626,639,678,691,756,769,782,808); one C(4,17,30,43,56,69,82,95,147,160,225,238,277,290,537,550,563,576,589,602,628,667,680,719,745,758,771,784,797,810); and one C(6,19,32,45,58,71,84,97,149,162,227,240,279,292,539,552,565,578,591,604,630,669,682,721,747,760,773,786,799,812) atom. The C(55,94,159,536,575,679,718,744,783)-C(2,28,54,80,119,158,171,236,249,288,301,327,353,379,431,457,483,509,548,561,574,600,626,639,678,691,756,769,782,808) bond length is 1.39 Å. The C(55,94,159,536,575,679,718,744,783)-C(4,17,30,43,56,69,82,95,147,160,225,238,277,290,537,550,563,576,589,602,628,667,680,719,745,758,771,784,797,810) bond length is 1.39 Å. The C(55,94,159,536,575,679,718,744,783)-C(6,19,32,45,58,71,84,97,149,162,227,240,279,292,539,552,565,578,591,604,630,669,682,721,747,760,773,786,799,812) bond length is 1.49 Å. In the forty-second C site, C(59,98,163,540,579,683,722,748,787) is bonded in a distorted single-bond geometry to one C(6,19,32,45,58,71,84,97,149,162,227,240,279,292,539,552,565,578,591,604,630,669,682,721,747,760,773,786,799,812); one C(8,34,60,86,138,151,190,203,216,268,281,359,385,398,411,463,515,528,541,580,593,606,658,671,710,723,736,788,814); and one H(3,8,13,18,23,28,33,38,43,48,53,58,63,68,73,78,83,88,93,98,103,108,113,118,123,128,133,138,143,148,153,158,163,168,173,178,183,188,193,198,203,208,213,218,223,228,233,238,243,248,253,258,263,268,273,278,283,288,293,298,303,308,313,318) atom. The C(59,98,163,540,579,683,722,748,787)-C(6,19,32,45,58,71,84,97,149,162,227,240,279,292,539,552,565,578,591,604,630,669,682,721,747,760,773,786,799,812) bond length is 1.39 Å. The C(59,98,163,540,579,683,722,748,787)-C(8,34,60,86,138,151,190,203,216,268,281,359,385,398,411,463,515,528,541,580,593,606,658,671,710,723,736,788,814) bond length is 1.37 Å. The C(59,98,163,540,579,683,722,748,787)-H(3,8,13,18,23,28,33,38,43,48,53,58,63,68,73,78,83,88,93,98,103,108,113,118,123,128,133,138,143,148,153,158,163,168,173,178,183,188,193,198,203,208,213,218,223,228,233,238,243,248,253,258,263,268,273,278,283,288,293,298,303,308,313,318) bond length is 0.93 Å. In the forty-third C site, C(61,100,126,165,204,269,308,334,373,412,477,516,542,581,620,685,724,750,789,828) is bonded in a distorted trigonal planar geometry to one C(10,23,36,49,62,75,88,101,114,127,140,153,166,179,192,205,218,231,244,257,270,283,296,309,322,335,348,361,374,387,400,413,426,439,452,465,478,491,504,517,530,543,556,569,582,595,608,621,634,647,660,673,686,699,712,725,738,751,764,777,790,803,816,829); one C(8,34,60,86,138,151,190,203,216,268,281,359,385,398,411,463,515,528,541,580,593,606,658,671,710,723,736,788,814); and one H(4,9,14,19,24,29,34,39,44,49,54,59,64,69,74,79,84,89,94,99,104,109,114,119,124,129,134,139,144,149,154,159,164,169,174,179,184,189,194,199,204,209,214,219,224,229,234,239,244,249,254,259,264,269,274,279,284,289,294,299,304,309,314,319) atom. The C(61,100,126,165,204,269,308,334,373,412,477,516,542,581,620,685,724,750,789,828)-C(10,23,36,49,62,75,88,101,114,127,140,153,166,179,192,205,218,231,244,257,270,283,296,309,322,335,348,361,374,387,400,413,426,439,452,465,478,491,504,517,530,543,556,569,582,595,608,621,634,647,660,673,686,699,712,725,738,751,764,777,790,803,816,829) bond length is 1.39 Å. The C(61,100,126,165,204,269,308,334,373,412,477,516,542,581,620,685,724,750,789,828)-C(8,34,60,86,138,151,190,203,216,268,281,359,385,398,411,463,515,528,541,580,593,606,658,671,710,723,736,788,814) bond length is 1.37 Å. The C(61,100,126,165,204,269,308,334,373,412,477,516,542,581,620,685,724,750,789,828)-H(4,9,14,19,24,29,34,39,44,49,54,59,64,69,74,79,84,89,94,99,104,109,114,119,124,129,134,139,144,149,154,159,164,169,174,179,184,189,194,199,204,209,214,219,224,229,234,239,244,249,254,259,264,269,274,279,284,289,294,299,304,309,314,319) bond length is 0.93 Å. In the forty-fourth C site, C(63,102,167,544,583,687,726,752,791) is bonded in a distorted single-bond geometry to one C(10,23,36,49,62,75,88,101,114,127,140,153,166,179,192,205,218,231,244,257,270,283,296,309,322,335,348,361,374,387,400,413,426,439,452,465,478,491,504,517,530,543,556,569,582,595,608,621,634,647,660,673,686,699,712,725,738,751,764,777,790,803,816,829); one C(6,19,32,45,58,71,84,97,149,162,227,240,279,292,539,552,565,578,591,604,630,669,682,721,747,760,773,786,799,812); and one H(5,10,15,20,25,30,35,40,45,50,55,60,65,70,75,80,85,90,95,100,105,110,115,120,125,130,135,140,145,150,155,160,165,170,175,180,185,190,195,200,205,210,215,220,225,230,235,240,245,250,255,260,265,270,275,280,285,290,295,300,305,310,315,320) atom. The C(63,102,167,544,583,687,726,752,791)-C(10,23,36,49,62,75,88,101,114,127,140,153,166,179,192,205,218,231,244,257,270,283,296,309,322,335,348,361,374,387,400,413,426,439,452,465,478,491,504,517,530,543,556,569,582,595,608,621,634,647,660,673,686,699,712,725,738,751,764,777,790,803,816,829) bond length is 1.38 Å. The C(63,102,167,544,583,687,726,752,791)-C(6,19,32,45,58,71,84,97,149,162,227,240,279,292,539,552,565,578,591,604,630,669,682,721,747,760,773,786,799,812) bond length is 1.38 Å. The C(63,102,167,544,583,687,726,752,791)-H(5,10,15,20,25,30,35,40,45,50,55,60,65,70,75,80,85,90,95,100,105,110,115,120,125,130,135,140,145,150,155,160,165,170,175,180,185,190,195,200,205,210,215,220,225,230,235,240,245,250,255,260,265,270,275,280,285,290,295,300,305,310,315,320) bond length is 0.93 Å. In the forty-fifth C site, C(65,104,130,169,208,273,312,338,377,416,481,520,546,585,624,689,728,754,793,832) is bonded in a distorted bent 120 degrees geometry to one C(10,23,36,49,62,75,88,101,114,127,140,153,166,179,192,205,218,231,244,257,270,283,296,309,322,335,348,361,374,387,400,413,426,439,452,465,478,491,504,517,530,543,556,569,582,595,608,621,634,647,660,673,686,699,712,725,738,751,764,777,790,803,816,829); one O(3,7,11,15,19,23,27,31,35,39,43,47,51,55,59,63,67,71,75,79,83,87,91,95,99,103,107,111,115,119,123,127,131,135,139,143,147,151,155,159,163,167,171,175,179,183,187,191,195,199,203,207,211,215,219,223,227,231,235,239,243,247,251,255); and one O(4,8,12,20,28,32,36,40,44,52,60,64,72,76,80,84,92,96,100,104,108,112,116,124,128,132,136,140,148,156,160,164,168,172,180,188,192,200,204,208,212,220,224,228,232,236,240,244,252,256) atom. The C(65,104,130,169,208,273,312,338,377,416,481,520,546,585,624,689,728,754,793,832)-C(10,23,36,49,62,75,88,101,114,127,140,153,166,179,192,205,218,231,244,257,270,283,296,309,322,335,348,361,374,387,400,413,426,439,452,465,478,491,504,517,530,543,556,569,582,595,608,621,634,647,660,673,686,699,712,725,738,751,764,777,790,803,816,829) bond length is 1.50 Å. The C(65,104,130,169,208,273,312,338,377,416,481,520,546,585,624,689,728,754,793,832)-O(3,7,11,15,19,23,27,31,35,39,43,47,51,55,59,63,67,71,75,79,83,87,91,95,99,103,107,111,115,119,123,127,131,135,139,143,147,151,155,159,163,167,171,175,179,183,187,191,195,199,203,207,211,215,219,223,227,231,235,239,243,247,251,255) bond length is 1.24 Å. The C(65,104,130,169,208,273,312,338,377,416,481,520,546,585,624,689,728,754,793,832)-O(4,8,12,20,28,32,36,40,44,52,60,64,72,76,80,84,92,96,100,104,108,112,116,124,128,132,136,140,148,156,160,164,168,172,180,188,192,200,204,208,212,220,224,228,232,236,240,244,252,256) bond length is 1.25 Å. There are six inequivalent N sites. In the first N site, N(1,2,3,4,12,18,19,42,43,44,49,52,58,59,60) is bonded in a trigonal planar geometry to one Mn(1,25) and two equivalent C(4,17,30,43,56,69,82,95,147,160,225,238,277,290,537,550,563,576,589,602,628,667,680,719,745,758,771,784,797,810) atoms. In the second N site, N(5,6,7,8,15,22,24,46,47,48,53,55,62,63,64) is bonded in a trigonal planar geometry to one Mn(1,25); one C(15,41,67,93,132,184,197,210,223,262,275,314,340,392,418,444,470,496,522,535,587,613,652,665,704,717,730,743,795,821); and one C(2,28,54,80,119,158,171,236,249,288,301,327,353,379,431,457,483,509,548,561,574,600,626,639,678,691,756,769,782,808) atom. In the third N site, N(9,28) is bonded in a trigonal planar geometry to one Mn(13) and two equivalent C(108,199,355,368) atoms. In the fourth N site, N(10,11,17,20,25,26,27,33,34,35,36,41,50,51,57) is bonded in a trigonal planar geometry to one Mn(14) and two equivalent C(121,134,173,186,212,251,264,303,316,329,342,381,394,407,420,433,446,459,472,485,498,511,524,615,641,654,693,706,732,823) atoms. In the fifth N site, N(13,31) is bonded in a trigonal planar geometry to one Mn(13) and two equivalent C(106,145,366,405) atoms. In the sixth N site, N(14,16,21,23,29,30,32,37,38,39,40,45,54,56,61) is bonded in a trigonal planar geometry to one Mn(2,37); one C(15,41,67,93,132,184,197,210,223,262,275,314,340,392,418,444,470,496,522,535,587,613,652,665,704,717,730,743,795,821); and one C(2,28,54,80,119,158,171,236,249,288,301,327,353,379,431,457,483,509,548,561,574,600,626,639,678,691,756,769,782,808) atom. The N(14,16,21,23,29,30,32,37,38,39,40,45,54,56,61)-C(15,41,67,93,132,184,197,210,223,262,275,314,340,392,418,444,470,496,522,535,587,613,652,665,704,717,730,743,795,821) bond length is 1.36 Å. The N(14,16,21,23,29,30,32,37,38,39,40,45,54,56,61)-C(2,28,54,80,119,158,171,236,249,288,301,327,353,379,431,457,483,509,548,561,574,600,626,639,678,691,756,769,782,808) bond length is 1.36 Å. There are nine inequivalent H sites. In the first H site, H(1,11,21,31,46,61,66,91,96,111,116,126,136,146,166,176,186,196,211,216,221,231,241,246,261,266,291,296,301,311) is bonded in a single-bond geometry to one C(1,27,53,79,118,157,170,235,248,287,300,326,352,378,430,456,482,508,547,560,573,599,625,638,677,690,755,768,781,807) atom. In the second H site, H(2,7,12,17,22,27,32,37,57,62,87,92,107,112,207,212,217,222,227,232,242,257,262,277,287,292,297,302,307,312) is bonded in a single-bond geometry to one C(5,18,31,44,57,70,83,96,148,161,226,239,278,291,538,551,564,577,590,603,629,668,681,720,746,759,772,785,798,811) atom. In the third H site, H(3,8,13,18,23,28,33,38,43,48,53,58,63,68,73,78,83,88,93,98,103,108,113,118,123,128,133,138,143,148,153,158,163,168,173,178,183,188,193,198,203,208,213,218,223,228,233,238,243,248,253,258,263,268,273,278,283,288,293,298,303,308,313,318) is bonded in a single-bond geometry to one C(7,20,33,46,72,85,150,228,241,280,293,553,566,592,605,631,670,761,774,800,813) atom. In the fourth H site, H(4,9,14,19,24,29,34,39,44,49,54,59,64,69,74,79,84,89,94,99,104,109,114,119,124,129,134,139,144,149,154,159,164,169,174,179,184,189,194,199,204,209,214,219,224,229,234,239,244,249,254,259,264,269,274,279,284,289,294,299,304,309,314,319) is bonded in a single-bond geometry to one C(9,22,35,48,74,87,113,139,152,178,191,217,230,243,256,282,295,321,347,360,386,399,425,438,451,464,490,503,529,555,568,594,607,633,646,659,672,698,711,737,763,776,802,815) atom. In the fifth H site, H(5,10,15,20,25,30,35,40,45,50,55,60,65,70,75,80,85,90,95,100,105,110,115,120,125,130,135,140,145,150,155,160,165,170,175,180,185,190,195,200,205,210,215,220,225,230,235,240,245,250,255,260,265,270,275,280,285,290,295,300,305,310,315,320) is bonded in a single-bond geometry to one C(11,24,37,50,76,89,154,232,245,284,297,557,570,596,609,635,674,765,778,804,817) atom. In the sixth H site, H(6,16,26,36,51,71,76,81,86,101,106,121,131,151,161,171,181,191,201,206,226,236,251,256,271,276,281,286,306,316) is bonded in a single-bond geometry to one C(14,40,66,92,131,183,196,209,222,261,274,313,339,391,417,443,469,495,521,534,586,612,651,664,703,716,729,742,794,820) atom. In the seventh H site, H(41,56,141,156) is bonded in a single-bond geometry to one C(105,144,365,404) atom. In the eighth H site, H(42,77,137,142) is bonded in a single-bond geometry to one C(109,200,356,369) atom. In the ninth H site, H(47,52,67,72,82,97,102,117,122,127,132,147,152,157,162,167,172,177,182,187,192,197,202,237,247,252,267,272,282,317) is bonded in a single-bond geometry to one C(122,135,174,187,213,252,265,304,317,330,343,382,395,408,421,434,447,460,473,486,499,512,525,616,642,655,694,707,733,824) atom. There are fifteen inequivalent O sites. In the first O site, O(230) is bonded in a distorted bent 150 degrees geometry to one Mn(8,43,53,55,90,92) and one C(51,77,350,376,428,454,480,506,753,779,805,831) atom. The O(230)-Mn(8,43,53,55,90,92) bond length is 2.06 Å. The O(230)-C(51,77,350,376,428,454,480,506,753,779,805,831) bond length is 1.24 Å. In the second O site, O(1,9,17,25,41,45,57,61,65,81,85,109,117,121,141,161,165,177,181,185,201,205,217,225,241,249) is bonded in a distorted bent 150 degrees geometry to one Mn(3,4,15,16,27,28,39,40,51,52,63,64,75,76,87,88) and one C(12,38,64,90,337,363,389,415,441,519,532,610,649,727,740,818) atom. In the third O site, O(2,10,18,26,110,118,126,158,162,186,222,226,250) is bonded in a distorted bent 150 degrees geometry to one Mn(5,7,42,44,54,65,78,89) and one C(12,38,64,90,337,363,389,415,441,519,532,610,649,727,740,818) atom. In the fourth O site, O(3,7,11,15,19,23,27,31,35,39,43,47,51,55,59,63,67,71,75,79,83,87,91,95,99,103,107,111,115,119,123,127,131,135,139,143,147,151,155,159,163,167,171,175,179,183,187,191,195,199,203,207,211,215,219,223,227,231,235,239,243,247,251,255) is bonded in a bent 120 degrees geometry to one Mn(9,10,11,12,21,22,23,24,33,34,35,36,45,46,47,48,57,58,59,60,69,70,71,72,81,82,83,84,93,94,95,96) and one C(13,26,39,52,78,91,117,143,156,182,195,221,234,247,260,286,299,325,351,364,390,403,429,442,455,468,494,507,533,559,572,598,611,637,650,663,676,702,715,741,767,780,806,819) atom. In the fifth O site, O(4,8,12,20,28,32,36,40,44,52,60,64,72,76,80,84,92,96,100,104,108,112,116,124,128,132,136,140,148,156,160,164,168,172,180,188,192,200,204,208,212,220,224,228,232,236,240,244,252,256) is bonded in a bent 150 degrees geometry to one Mn(9,10,11,12,21,22,23,24,33,34,35,36,45,46,47,48,57,58,59,60,69,70,71,72,81,82,83,84,93,94,95,96) and one C(13,26,39,52,78,91,117,143,156,182,195,221,234,247,260,286,299,325,351,364,390,403,429,442,455,468,494,507,533,559,572,598,611,637,650,663,676,702,715,741,767,780,806,819) atom. In the sixth O site, O(5,69,101,125,133,157,197,221) is bonded in a distorted bent 150 degrees geometry to one Mn(3,4,15,16,27,28,39,40,51,52,63,64,75,76,87,88) and one C(25,103,116,129,142,155,168,181,194,207,220,233,246,259,272,285,298,311,324,402,467,493,545,558,571,584,597,623,636,662,675,688,701,714,766,792) atom. The O(5,69,101,125,133,157,197,221)-Mn(3,4,15,16,27,28,39,40,51,52,63,64,75,76,87,88) bond length is 2.14 Å. In the seventh O site, O(6,42,62,70,82,178,202,242) is bonded in a distorted bent 150 degrees geometry to one Mn(6,17,18,19,20,29,30,31,32,41,56,66,67,68,77,79,80,91) and one C(25,103,116,129,142,155,168,181,194,207,220,233,246,259,272,285,298,311,324,402,467,493,545,558,571,584,597,623,636,662,675,688,701,714,766,792) atom. In the eighth O site, O(13,21,33,53,89,97,129,149,153,173,193,213,237,245) is bonded in a distorted bent 150 degrees geometry to one Mn(3,4,15,16,27,28,39,40,51,52,63,64,75,76,87,88) and one C(51,77,350,376,428,454,480,506,753,779,805,831) atom. The O(13,21,33,53,89,97,129,149,153,173,193,213,237,245)-Mn(3,4,15,16,27,28,39,40,51,52,63,64,75,76,87,88) bond length is 2.14 Å. In the ninth O site, O(14,22,106,114,130,138,146,154,238,246,254) is bonded in a distorted bent 150 degrees geometry to one Mn(8,43,53,55,90,92) and one C(51,77,350,376,428,454,480,506,753,779,805,831) atom. In the tenth O site, O(16,24,48,56,68,88,120,144,152,176,184,196,216,248) is bonded in a bent 150 degrees geometry to one Mn(9,10,11,12,21,22,23,24,33,34,35,36,45,46,47,48,57,58,59,60,69,70,71,72,81,82,83,84,93,94,95,96) and one C(13,26,39,52,78,91,117,143,156,182,195,221,234,247,260,286,299,325,351,364,390,403,429,442,455,468,494,507,533,559,572,598,611,637,650,663,676,702,715,741,767,780,806,819) atom. The O(16,24,48,56,68,88,120,144,152,176,184,196,216,248)-Mn(9,10,11,12,21,22,23,24,33,34,35,36,45,46,47,48,57,58,59,60,69,70,71,72,81,82,83,84,93,94,95,96) bond length is 2.13 Å. The O(16,24,48,56,68,88,120,144,152,176,184,196,216,248)-C(13,26,39,52,78,91,117,143,156,182,195,221,234,247,260,286,299,325,351,364,390,403,429,442,455,468,494,507,533,559,572,598,611,637,650,663,676,702,715,741,767,780,806,819) bond length is 1.25 Å. In the eleventh O site, O(29,37,49,73,93,105,113,137,145,169,209,229,233,253) is bonded in a distorted bent 150 degrees geometry to one Mn(3,4,15,16,27,28,39,40,51,52,63,64,75,76,87,88) and one C(25,103,116,129,142,155,168,181,194,207,220,233,246,259,272,285,298,311,324,402,467,493,545,558,571,584,597,623,636,662,675,688,701,714,766,792) atom. The O(29,37,49,73,93,105,113,137,145,169,209,229,233,253)-Mn(3,4,15,16,27,28,39,40,51,52,63,64,75,76,87,88) bond length is 2.14 Å. The O(29,37,49,73,93,105,113,137,145,169,209,229,233,253)-C(25,103,116,129,142,155,168,181,194,207,220,233,246,259,272,285,298,311,324,402,467,493,545,558,571,584,597,623,636,662,675,688,701,714,766,792) bond length is 1.23 Å. In the twelfth O site, O(30,34,38,50,54,74,78,90,94,98,150,170,174,190,194,210,214,234) is bonded in a distorted bent 150 degrees geometry to one Mn(6,17,18,19,20,29,30,31,32,41,56,66,67,68,77,79,80,91) and one C(25,103,116,129,142,155,168,181,194,207,220,233,246,259,272,285,298,311,324,402,467,493,545,558,571,584,597,623,636,662,675,688,701,714,766,792) atom. The O(30,34,38,50,54,74,78,90,94,98,150,170,174,190,194,210,214,234)-C(25,103,116,129,142,155,168,181,194,207,220,233,246,259,272,285,298,311,324,402,467,493,545,558,571,584,597,623,636,662,675,688,701,714,766,792) bond length is 1.24 Å. In the thirteenth O site, O(46,58,66,86,122,142,166,182,206,218) is bonded in a distorted bent 150 degrees geometry to one Mn(6,17,18,19,20,29,30,31,32,41,56,66,67,68,77,79,80,91) and one C(25,103,116,129,142,155,168,181,194,207,220,233,246,259,272,285,298,311,324,402,467,493,545,558,571,584,597,623,636,662,675,688,701,714,766,792) atom. The O(46,58,66,86,122,142,166,182,206,218)-Mn(6,17,18,19,20,29,30,31,32,41,56,66,67,68,77,79,80,91) bond length is 2.06 Å. The O(46,58,66,86,122,142,166,182,206,218)-C(25,103,116,129,142,155,168,181,194,207,220,233,246,259,272,285,298,311,324,402,467,493,545,558,571,584,597,623,636,662,675,688,701,714,766,792) bond length is 1.24 Å. In the fourteenth O site, O(77,189) is bonded in a distorted bent 150 degrees geometry to one Mn(3,4,15,16,27,28,39,40,51,52,63,64,75,76,87,88) and one C(25,103,116,129,142,155,168,181,194,207,220,233,246,259,272,285,298,311,324,402,467,493,545,558,571,584,597,623,636,662,675,688,701,714,766,792) atom. The O(77,189)-Mn(3,4,15,16,27,28,39,40,51,52,63,64,75,76,87,88) bond length is 2.14 Å. The O(77,189)-C(25,103,116,129,142,155,168,181,194,207,220,233,246,259,272,285,298,311,324,402,467,493,545,558,571,584,597,623,636,662,675,688,701,714,766,792) bond length is 1.23 Å. In the fifteenth O site, O(102,134,198) is bonded in a distorted bent 150 degrees geometry to one Mn(5,7,42,44,54,65,78,89) and one C(12,38,64,90,337,363,389,415,441,519,532,610,649,727,740,818) atom. The O(102,134,198)-Mn(5,7,42,44,54,65,78,89) bond length is 2.06 Å. The O(102,134,198)-C(12,38,64,90,337,363,389,415,441,519,532,610,649,727,740,818) bond length is 1.24 Å. There are three inequivalent Cl sites. In the first Cl site, Cl(1,2,3,4,9,10,11,12,15,16,17,18,21,22,23,24,26,27,28,29,30,31,32,33,37,38,39,40,43,44,45,46) is bonded in a single-bond geometry to one Mn(9,10,11,12,21,22,23,24,33,34,35,36,45,46,47,48,57,58,59,60,69,70,71,72,81,82,83,84,93,94,95,96) atom. In the second Cl site, Cl(5,6,7,8,14,19,20,34,35,36,41,42,47,48,49) is bonded in a single-bond geometry to one Mn(1,25) atom. In the third Cl site, Cl(13,25) is bonded in a single-bond geometry to one Mn(13) atom. Linkers: 15 [O]C(=O)c1cc(cc(c1)C1=C2C=CC3=[N]2[Mn]24(n5c1ccc5C(=C1[N]2=C(C=C1)C(=c1n4c(=C3c2cc(cc(c2)C(=O)[O])C(=O)[O])cc1)c1cc(cc(c1)C(=O)[O])C(=O)[O])c1cc(cc(c1)C(=O)[O])C(=O)[O])Cl)C(=O)[O] ,1 [O]C(=O)c1cc(cc(c1)C1=C2C=CC3=[N]2[Mn]24(n5c1ccc5C(=C1[N]2=C(C=C1)C(=c1n4c(=C3c2cc(cc(c2)C(=O)[O])C(=O)[O])cc1)c1cc(cc(c1)C(=O)[O])C(=O)[O])c1cc(cc(c1)C(=O)[O])C(=O)[O])(Cl)Cl)C(=O)[O]. Metal clusters: 16 [C]1O[Mn]O[C]O[Mn]2(O1)O[C]O[Mn]O[C]O2 ,16 Cl[Mn]123O[C]O[Mn](Cl)(O[C]O1)(O[C]O2)O[C]O3. RCSR code: scu. The MOF has largest included sphere 9.39 A, density 0.84 g/cm3, surface area 3827.78 m2/g, accessible volume 0.88 cm3/g