Fe12C162H91(N6O13)4(CH)72 crystallizes in the orthorhombic P2_12_12_1 space group. The structure consists of two hundred and eighty-eight 02329_fluka molecules inside a Fe12C162H91(N6O13)4 framework. In the Fe12C162H91(N6O13)4 framework, there are twelve inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one N(1), one O(1), one O(14), one O(16), one O(2), and one O(5) atom to form corner-sharing FeNO5 octahedra. The corner-sharing octahedral tilt angles range from 60-61°. The Fe(1)-N(1) bond length is 2.04 Å. The Fe(1)-O(1) bond length is 1.97 Å. The Fe(1)-O(14) bond length is 2.01 Å. The Fe(1)-O(16) bond length is 1.99 Å. The Fe(1)-O(2) bond length is 1.91 Å. The Fe(1)-O(5) bond length is 2.01 Å. In the second Fe site, Fe(2) is bonded to one N(2), one O(11), one O(2), one O(3), one O(7), and one O(9) atom to form corner-sharing FeNO5 octahedra. The corner-sharing octahedral tilt angles range from 59-61°. The Fe(2)-N(2) bond length is 2.13 Å. The Fe(2)-O(11) bond length is 1.97 Å. The Fe(2)-O(2) bond length is 1.88 Å. The Fe(2)-O(3) bond length is 2.07 Å. The Fe(2)-O(7) bond length is 2.01 Å. The Fe(2)-O(9) bond length is 1.99 Å. In the third Fe site, Fe(3) is bonded to one N(3), one O(10), one O(12), one O(13), one O(15), and one O(2) atom to form corner-sharing FeNO5 octahedra. The corner-sharing octahedral tilt angles range from 59-60°. The Fe(3)-N(3) bond length is 2.13 Å. The Fe(3)-O(10) bond length is 2.01 Å. The Fe(3)-O(12) bond length is 2.00 Å. The Fe(3)-O(13) bond length is 2.04 Å. The Fe(3)-O(15) bond length is 2.08 Å. The Fe(3)-O(2) bond length is 1.90 Å. In the fourth Fe site, Fe(4) is bonded to one N(10), one O(17), one O(19), one O(26), one O(28), and one O(4) atom to form corner-sharing FeNO5 octahedra. The corner-sharing octahedral tilt angles range from 60-62°. The Fe(4)-N(10) bond length is 2.12 Å. The Fe(4)-O(17) bond length is 2.02 Å. The Fe(4)-O(19) bond length is 2.02 Å. The Fe(4)-O(26) bond length is 2.12 Å. The Fe(4)-O(28) bond length is 2.01 Å. The Fe(4)-O(4) bond length is 1.93 Å. In the fifth Fe site, Fe(5) is bonded to one N(11), one O(18), one O(20), one O(21), one O(23), and one O(4) atom to form corner-sharing FeNO5 octahedra. The corner-sharing octahedral tilt angles range from 58-60°. The Fe(5)-N(11) bond length is 2.16 Å. The Fe(5)-O(18) bond length is 2.02 Å. The Fe(5)-O(20) bond length is 2.03 Å. The Fe(5)-O(21) bond length is 1.99 Å. The Fe(5)-O(23) bond length is 2.09 Å. The Fe(5)-O(4) bond length is 1.83 Å. In the sixth Fe site, Fe(6) is bonded to one N(12), one O(22), one O(24), one O(25), one O(27), and one O(4) atom to form corner-sharing FeNO5 octahedra. The corner-sharing octahedral tilt angles range from 58-62°. The Fe(6)-N(12) bond length is 2.11 Å. The Fe(6)-O(22) bond length is 2.04 Å. The Fe(6)-O(24) bond length is 1.99 Å. The Fe(6)-O(25) bond length is 1.98 Å. The Fe(6)-O(27) bond length is 2.11 Å. The Fe(6)-O(4) bond length is 1.92 Å. In the seventh Fe site, Fe(7) is bonded to one N(21), one O(29), one O(31), one O(38), one O(40), and one O(6) atom to form corner-sharing FeNO5 octahedra. The corner-sharing octahedral tilt angles range from 60-63°. The Fe(7)-N(21) bond length is 2.12 Å. The Fe(7)-O(29) bond length is 1.96 Å. The Fe(7)-O(31) bond length is 2.06 Å. The Fe(7)-O(38) bond length is 2.06 Å. The Fe(7)-O(40) bond length is 2.03 Å. The Fe(7)-O(6) bond length is 1.93 Å. In the eighth Fe site, Fe(8) is bonded to one N(24), one O(34), one O(36), one O(37), one O(39), and one O(6) atom to form corner-sharing FeNO5 octahedra. The corner-sharing octahedral tilt angles range from 57-60°. The Fe(8)-N(24) bond length is 2.09 Å. The Fe(8)-O(34) bond length is 2.06 Å. The Fe(8)-O(36) bond length is 1.97 Å. The Fe(8)-O(37) bond length is 1.97 Å. The Fe(8)-O(39) bond length is 2.15 Å. The Fe(8)-O(6) bond length is 1.83 Å. In the ninth Fe site, Fe(9) is bonded to one N(19), one O(30), one O(32), one O(33), one O(35), and one O(6) atom to form corner-sharing FeNO5 octahedra. The corner-sharing octahedral tilt angles range from 57-63°. The Fe(9)-N(19) bond length is 2.13 Å. The Fe(9)-O(30) bond length is 2.01 Å. The Fe(9)-O(32) bond length is 2.06 Å. The Fe(9)-O(33) bond length is 2.00 Å. The Fe(9)-O(35) bond length is 1.99 Å. The Fe(9)-O(6) bond length is 1.91 Å. In the tenth Fe site, Fe(10) is bonded to one N(22), one O(42), one O(44), one O(50), one O(52), and one O(8) atom to form corner-sharing FeNO5 octahedra. The corner-sharing octahedral tilt angles range from 57-60°. The Fe(10)-N(22) bond length is 2.14 Å. The Fe(10)-O(42) bond length is 2.06 Å. The Fe(10)-O(44) bond length is 2.02 Å. The Fe(10)-O(50) bond length is 1.97 Å. The Fe(10)-O(52) bond length is 2.06 Å. The Fe(10)-O(8) bond length is 1.79 Å. In the eleventh Fe site, Fe(11) is bonded to one N(23), one O(46), one O(48), one O(49), one O(51), and one O(8) atom to form corner-sharing FeNO5 octahedra. The corner-sharing octahedral tilt angles range from 57-64°. The Fe(11)-N(23) bond length is 2.24 Å. The Fe(11)-O(46) bond length is 2.07 Å. The Fe(11)-O(48) bond length is 2.04 Å. The Fe(11)-O(49) bond length is 2.01 Å. The Fe(11)-O(51) bond length is 2.01 Å. The Fe(11)-O(8) bond length is 1.96 Å. In the twelfth Fe site, Fe(12) is bonded to one N(20), one O(41), one O(43), one O(45), one O(47), and one O(8) atom to form corner-sharing FeNO5 octahedra. The corner-sharing octahedral tilt angles range from 60-64°. The Fe(12)-N(20) bond length is 2.11 Å. The Fe(12)-O(41) bond length is 1.89 Å. The Fe(12)-O(43) bond length is 2.00 Å. The Fe(12)-O(45) bond length is 1.99 Å. The Fe(12)-O(47) bond length is 2.06 Å. The Fe(12)-O(8) bond length is 1.93 Å. There are one hundred and sixty-two inequivalent C sites. In the first C site, C(1) is bonded in a 2-coordinate geometry to one C(2), one O(1), and one O(3) atom. The C(1)-C(2) bond length is 1.50 Å. The C(1)-O(1) bond length is 1.11 Å. The C(1)-O(3) bond length is 1.47 Å. In the second C site, C(2) is bonded in a distorted trigonal planar geometry to one C(1), one C(3), and one C(7) atom. The C(2)-C(3) bond length is 1.36 Å. The C(2)-C(7) bond length is 1.47 Å. In the third C site, C(3) is bonded in a distorted single-bond geometry to one C(2) and one H(1) atom. The C(3)-H(1) bond length is 0.93 Å. In the fourth C site, C(7) is bonded in a distorted single-bond geometry to one C(2) and one H(5) atom. The C(7)-H(5) bond length is 0.93 Å. In the fifth C site, C(8) is bonded in a bent 120 degrees geometry to one C(9), one O(5), and one O(7) atom. The C(8)-C(9) bond length is 1.51 Å. The C(8)-O(5) bond length is 1.21 Å. The C(8)-O(7) bond length is 1.32 Å. In the sixth C site, C(9) is bonded in a trigonal planar geometry to one C(10), one C(14), and one C(8) atom. The C(9)-C(10) bond length is 1.33 Å. The C(9)-C(14) bond length is 1.39 Å. In the seventh C site, C(10) is bonded in a distorted single-bond geometry to one C(9) and one H(6) atom. The C(10)-H(6) bond length is 0.93 Å. In the eighth C site, C(14) is bonded in a distorted single-bond geometry to one C(9) and one H(10) atom. The C(14)-H(10) bond length is 0.93 Å. In the ninth C site, C(15) is bonded in a bent 150 degrees geometry to one O(10) and one O(9) atom. The C(15)-O(10) bond length is 1.29 Å. The C(15)-O(9) bond length is 1.19 Å. In the tenth C site, C(16) is bonded in a distorted bent 120 degrees geometry to one C(17), one O(11), and one O(12) atom. The C(16)-C(17) bond length is 1.55 Å. The C(16)-O(11) bond length is 1.34 Å. The C(16)-O(12) bond length is 1.24 Å. In the eleventh C site, C(17) is bonded in a trigonal planar geometry to one C(16), one C(18), and one C(22) atom. The C(17)-C(18) bond length is 1.34 Å. The C(17)-C(22) bond length is 1.40 Å. In the twelfth C site, C(18) is bonded in a distorted single-bond geometry to one C(17) and one H(11) atom. The C(18)-H(11) bond length is 0.93 Å. In the thirteenth C site, C(22) is bonded in a distorted single-bond geometry to one C(17) and one H(15) atom. The C(22)-H(15) bond length is 0.93 Å. In the fourteenth C site, C(23) is bonded in a distorted bent 120 degrees geometry to one C(24), one O(13), and one O(14) atom. The C(23)-C(24) bond length is 1.60 Å. The C(23)-O(13) bond length is 1.22 Å. The C(23)-O(14) bond length is 1.25 Å. In the fifteenth C site, C(24) is bonded in a trigonal planar geometry to one C(23), one C(25), and one C(29) atom. The C(24)-C(25) bond length is 1.38 Å. The C(24)-C(29) bond length is 1.39 Å. In the sixteenth C site, C(25) is bonded in a distorted single-bond geometry to one C(24) and one H(16) atom. The C(25)-H(16) bond length is 0.93 Å. In the seventeenth C site, C(29) is bonded in a distorted single-bond geometry to one C(24) and one H(20) atom. The C(29)-H(20) bond length is 0.93 Å. In the eighteenth C site, C(30) is bonded in a distorted bent 120 degrees geometry to one C(31), one O(15), and one O(16) atom. The C(30)-C(31) bond length is 1.45 Å. The C(30)-O(15) bond length is 1.35 Å. The C(30)-O(16) bond length is 1.18 Å. In the nineteenth C site, C(31) is bonded in a distorted trigonal planar geometry to one C(30), one C(32), and one C(36) atom. The C(31)-C(32) bond length is 1.38 Å. The C(31)-C(36) bond length is 1.38 Å. In the twentieth C site, C(32) is bonded in a distorted single-bond geometry to one C(31) and one H(21) atom. The C(32)-H(21) bond length is 0.93 Å. In the twenty-first C site, C(36) is bonded in a distorted single-bond geometry to one C(31) and one H(25) atom. The C(36)-H(25) bond length is 0.93 Å. In the twenty-second C site, C(37) is bonded in a 3-coordinate geometry to one C(38), one N(2), and one H(26) atom. The C(37)-C(38) bond length is 1.34 Å. The C(37)-N(2) bond length is 1.39 Å. The C(37)-H(26) bond length is 0.93 Å. In the twenty-third C site, C(38) is bonded in a distorted single-bond geometry to one C(37) and one H(27) atom. The C(38)-H(27) bond length is 0.93 Å. In the twenty-fourth C site, C(39) is bonded in a distorted single-bond geometry to one C(40) and one H(28) atom. The C(39)-C(40) bond length is 1.37 Å. The C(39)-H(28) bond length is 0.93 Å. In the twenty-fifth C site, C(40) is bonded in a trigonal planar geometry to one C(39), one C(41), and one C(42) atom. The C(40)-C(41) bond length is 1.41 Å. The C(40)-C(42) bond length is 1.62 Å. In the twenty-sixth C site, C(41) is bonded in a distorted bent 120 degrees geometry to one C(40), one N(2), and one H(29) atom. The C(41)-N(2) bond length is 1.29 Å. The C(41)-H(29) bond length is 0.93 Å. In the twenty-seventh C site, C(42) is bonded in a distorted bent 120 degrees geometry to one C(40), one N(4), and one N(5) atom. The C(42)-N(4) bond length is 1.34 Å. The C(42)-N(5) bond length is 1.33 Å. In the twenty-eighth C site, C(43) is bonded in a distorted trigonal planar geometry to one C(190), one N(5), and one N(6) atom. The C(43)-C(190) bond length is 1.44 Å. The C(43)-N(5) bond length is 1.36 Å. The C(43)-N(6) bond length is 1.40 Å. In the twenty-ninth C site, C(44) is bonded in a 2-coordinate geometry to one C(45), one N(1), and one H(30) atom. The C(44)-C(45) bond length is 1.37 Å. The C(44)-N(1) bond length is 1.43 Å. The C(44)-H(30) bond length is 0.93 Å. In the thirtieth C site, C(45) is bonded in a trigonal planar geometry to one C(234), one C(44), and one C(46) atom. The C(45)-C(234) bond length is 1.38 Å. The C(45)-C(46) bond length is 1.28 Å. In the thirty-first C site, C(46) is bonded in a distorted single-bond geometry to one C(45) and one H(31) atom. The C(46)-H(31) bond length is 0.93 Å. In the thirty-second C site, C(48) is bonded in a distorted bent 120 degrees geometry to one N(1) and one H(33) atom. The C(48)-N(1) bond length is 1.34 Å. The C(48)-H(33) bond length is 0.93 Å. In the thirty-third C site, C(49) is bonded in a 2-coordinate geometry to one N(3) and one H(34) atom. The C(49)-N(3) bond length is 1.35 Å. The C(49)-H(34) bond length is 0.93 Å. In the thirty-fourth C site, C(51) is bonded in a distorted single-bond geometry to one C(52) and one H(36) atom. The C(51)-C(52) bond length is 1.43 Å. The C(51)-H(36) bond length is 0.93 Å. In the thirty-fifth C site, C(52) is bonded in a trigonal planar geometry to one C(51), one C(53), and one C(54) atom. The C(52)-C(53) bond length is 1.26 Å. The C(52)-C(54) bond length is 1.55 Å. In the thirty-sixth C site, C(53) is bonded in a 2-coordinate geometry to one C(52), one N(3), and one H(37) atom. The C(53)-N(3) bond length is 1.34 Å. The C(53)-H(37) bond length is 0.93 Å. In the thirty-seventh C site, C(54) is bonded in a 3-coordinate geometry to one C(52), one N(7), and one N(8) atom. The C(54)-N(7) bond length is 1.47 Å. The C(54)-N(8) bond length is 1.24 Å. In the thirty-eighth C site, C(55) is bonded in a distorted trigonal planar geometry to one C(57), one N(7), and one N(9) atom. The C(55)-C(57) bond length is 1.34 Å. The C(55)-N(7) bond length is 1.25 Å. The C(55)-N(9) bond length is 1.36 Å. In the thirty-ninth C site, C(56) is bonded in a distorted trigonal planar geometry to one C(185), one N(8), and one N(9) atom. The C(56)-C(185) bond length is 1.55 Å. The C(56)-N(8) bond length is 1.34 Å. The C(56)-N(9) bond length is 1.31 Å. In the fortieth C site, C(57) is bonded in a distorted trigonal planar geometry to one C(55), one C(58), and one C(61) atom. The C(57)-C(58) bond length is 1.49 Å. The C(57)-C(61) bond length is 1.44 Å. In the forty-first C site, C(58) is bonded in a distorted single-bond geometry to one C(57) and one H(38) atom. The C(58)-H(38) bond length is 0.93 Å. In the forty-second C site, C(60) is bonded in a distorted bent 120 degrees geometry to one N(10) and one H(40) atom. The C(60)-N(10) bond length is 1.36 Å. The C(60)-H(40) bond length is 0.93 Å. In the forty-third C site, C(61) is bonded in a distorted water-like geometry to one C(57), one N(10), and one H(41) atom. The C(61)-N(10) bond length is 1.38 Å. The C(61)-H(41) bond length is 0.93 Å. In the forty-fourth C site, C(62) is bonded in a distorted bent 150 degrees geometry to one C(63), one O(27), and one O(28) atom. The C(62)-C(63) bond length is 1.55 Å. The C(62)-O(27) bond length is 1.26 Å. The C(62)-O(28) bond length is 1.26 Å. In the forty-fifth C site, C(63) is bonded in a trigonal planar geometry to one C(62), one C(64), and one C(68) atom. The C(63)-C(64) bond length is 1.38 Å. The C(63)-C(68) bond length is 1.37 Å. In the forty-sixth C site, C(64) is bonded in a distorted single-bond geometry to one C(63) and one H(42) atom. The C(64)-H(42) bond length is 0.93 Å. In the forty-seventh C site, C(66) is bonded in a distorted single-bond geometry to one C(67) and one H(44) atom. The C(66)-C(67) bond length is 1.36 Å. The C(66)-H(44) bond length is 0.93 Å. In the forty-eighth C site, C(67) is bonded in a distorted trigonal planar geometry to one C(66), one C(68), and one H(45) atom. The C(67)-C(68) bond length is 1.35 Å. The C(67)-H(45) bond length is 0.93 Å. In the forty-ninth C site, C(68) is bonded in a distorted single-bond geometry to one C(63), one C(67), and one H(46) atom. The C(68)-H(46) bond length is 0.93 Å. In the fiftieth C site, C(69) is bonded in a distorted bent 120 degrees geometry to one C(70), one O(25), and one O(26) atom. The C(69)-C(70) bond length is 1.56 Å. The C(69)-O(25) bond length is 1.26 Å. The C(69)-O(26) bond length is 1.33 Å. In the fifty-first C site, C(70) is bonded in a trigonal planar geometry to one C(69), one C(71), and one C(75) atom. The C(70)-C(71) bond length is 1.43 Å. The C(70)-C(75) bond length is 1.47 Å. In the fifty-second C site, C(71) is bonded in a distorted single-bond geometry to one C(70) and one H(47) atom. The C(71)-H(47) bond length is 0.93 Å. In the fifty-third C site, C(75) is bonded in a distorted single-bond geometry to one C(70) and one H(51) atom. The C(75)-H(51) bond length is 0.93 Å. In the fifty-fourth C site, C(76) is bonded in a distorted bent 120 degrees geometry to one C(77), one O(21), and one O(22) atom. The C(76)-C(77) bond length is 1.53 Å. The C(76)-O(21) bond length is 1.32 Å. The C(76)-O(22) bond length is 1.29 Å. In the fifty-fifth C site, C(77) is bonded in a trigonal planar geometry to one C(76), one C(78), and one C(82) atom. The C(77)-C(78) bond length is 1.38 Å. The C(77)-C(82) bond length is 1.39 Å. In the fifty-sixth C site, C(78) is bonded in a distorted single-bond geometry to one C(77) and one H(52) atom. The C(78)-H(52) bond length is 0.93 Å. In the fifty-seventh C site, C(82) is bonded in a single-bond geometry to one C(77) and one H(56) atom. The C(82)-H(56) bond length is 0.93 Å. In the fifty-eighth C site, C(83) is bonded in a trigonal planar geometry to one C(233), one C(84), and one C(88) atom. The C(83)-C(233) bond length is 1.52 Å. The C(83)-C(84) bond length is 1.44 Å. The C(83)-C(88) bond length is 1.39 Å. In the fifty-ninth C site, C(84) is bonded in a distorted single-bond geometry to one C(83) and one H(57) atom. The C(84)-H(57) bond length is 0.93 Å. In the sixtieth C site, C(88) is bonded in a distorted single-bond geometry to one C(83) and one H(61) atom. The C(88)-H(61) bond length is 0.93 Å. In the sixty-first C site, C(89) is bonded in a distorted water-like geometry to one C(90), one O(17), and one O(18) atom. The C(89)-C(90) bond length is 1.36 Å. The C(89)-O(17) bond length is 1.43 Å. The C(89)-O(18) bond length is 1.37 Å. In the sixty-second C site, C(90) is bonded in a trigonal planar geometry to one C(89), one C(91), and one C(95) atom. The C(90)-C(91) bond length is 1.48 Å. The C(90)-C(95) bond length is 1.35 Å. In the sixty-third C site, C(91) is bonded in a single-bond geometry to one C(90) and one H(62) atom. The C(91)-H(62) bond length is 0.93 Å. In the sixty-fourth C site, C(95) is bonded in a distorted single-bond geometry to one C(90) and one H(66) atom. The C(95)-H(66) bond length is 0.93 Å. In the sixty-fifth C site, C(96) is bonded in a distorted bent 120 degrees geometry to one C(97), one O(19), and one O(20) atom. The C(96)-C(97) bond length is 1.45 Å. The C(96)-O(19) bond length is 1.20 Å. The C(96)-O(20) bond length is 1.34 Å. In the sixty-sixth C site, C(97) is bonded in a trigonal planar geometry to one C(102), one C(96), and one C(98) atom. The C(97)-C(102) bond length is 1.37 Å. The C(97)-C(98) bond length is 1.31 Å. In the sixty-seventh C site, C(98) is bonded in a distorted single-bond geometry to one C(97) and one H(67) atom. The C(98)-H(67) bond length is 0.93 Å. In the sixty-eighth C site, C(102) is bonded in a distorted single-bond geometry to one C(97) and one H(71) atom. The C(102)-H(71) bond length is 0.93 Å. In the sixty-ninth C site, C(103) is bonded in a distorted bent 120 degrees geometry to one N(11) and one H(72) atom. The C(103)-N(11) bond length is 1.20 Å. The C(103)-H(72) bond length is 0.93 Å. In the seventieth C site, C(105) is bonded in a distorted single-bond geometry to one C(106) and one H(74) atom. The C(105)-C(106) bond length is 1.33 Å. The C(105)-H(74) bond length is 0.93 Å. In the seventy-first C site, C(106) is bonded in a trigonal planar geometry to one C(105), one C(107), and one C(108) atom. The C(106)-C(107) bond length is 1.39 Å. The C(106)-C(108) bond length is 1.52 Å. In the seventy-second C site, C(107) is bonded in a distorted trigonal planar geometry to one C(106), one N(11), and one H(75) atom. The C(107)-N(11) bond length is 1.39 Å. The C(107)-H(75) bond length is 0.93 Å. In the seventy-third C site, C(108) is bonded in a 3-coordinate geometry to one C(106), one N(13), and one N(14) atom. The C(108)-N(13) bond length is 1.25 Å. The C(108)-N(14) bond length is 1.36 Å. In the seventy-fourth C site, C(109) is bonded in a 2-coordinate geometry to one C(111), one N(13), and one N(15) atom. The C(109)-C(111) bond length is 1.53 Å. The C(109)-N(13) bond length is 1.32 Å. The C(109)-N(15) bond length is 1.31 Å. In the seventy-fifth C site, C(110) is bonded in a 3-coordinate geometry to one C(118), one N(14), and one N(15) atom. The C(110)-C(118) bond length is 1.54 Å. The C(110)-N(14) bond length is 1.46 Å. The C(110)-N(15) bond length is 1.27 Å. In the seventy-sixth C site, C(111) is bonded in a trigonal planar geometry to one C(109), one C(112), and one C(115) atom. The C(111)-C(112) bond length is 1.44 Å. The C(111)-C(115) bond length is 1.34 Å. In the seventy-seventh C site, C(112) is bonded in a single-bond geometry to one C(111) and one H(76) atom. The C(112)-H(76) bond length is 0.93 Å. In the seventy-eighth C site, C(113) is bonded in a distorted single-bond geometry to one C(114) and one H(77) atom. The C(113)-C(114) bond length is 1.36 Å. The C(113)-H(77) bond length is 0.93 Å. In the seventy-ninth C site, C(114) is bonded in a 3-coordinate geometry to one C(113), one N(24), and one H(78) atom. The C(114)-N(24) bond length is 1.55 Å. The C(114)-H(78) bond length is 0.93 Å. In the eightieth C site, C(115) is bonded in a 2-coordinate geometry to one C(111), one N(24), and one H(79) atom. The C(115)-N(24) bond length is 1.32 Å. The C(115)-H(79) bond length is 0.93 Å. In the eighty-first C site, C(116) is bonded in a distorted bent 120 degrees geometry to one C(206), one O(33), and one O(34) atom. The C(116)-C(206) bond length is 1.52 Å. The C(116)-O(33) bond length is 1.34 Å. The C(116)-O(34) bond length is 1.19 Å. In the eighty-second C site, C(117) is bonded in a distorted bent 120 degrees geometry to one C(118), one N(21), and one H(80) atom. The C(117)-C(118) bond length is 1.38 Å. The C(117)-N(21) bond length is 1.44 Å. The C(117)-H(80) bond length is 0.93 Å. In the eighty-third C site, C(118) is bonded in a trigonal planar geometry to one C(110), one C(117), and one C(119) atom. The C(118)-C(119) bond length is 1.43 Å. In the eighty-fourth C site, C(119) is bonded in a distorted single-bond geometry to one C(118) and one H(81) atom. The C(119)-H(81) bond length is 0.93 Å. In the eighty-fifth C site, C(121) is bonded in a distorted bent 120 degrees geometry to one N(21) and one H(83) atom. The C(121)-N(21) bond length is 1.30 Å. The C(121)-H(83) bond length is 0.93 Å. In the eighty-sixth C site, C(122) is bonded in a distorted bent 120 degrees geometry to one N(12) and one H(84) atom. The C(122)-N(12) bond length is 1.27 Å. The C(122)-H(84) bond length is 0.93 Å. In the eighty-seventh C site, C(124) is bonded in a single-bond geometry to one C(125) and one H(86) atom. The C(124)-C(125) bond length is 1.33 Å. The C(124)-H(86) bond length is 0.93 Å. In the eighty-eighth C site, C(125) is bonded in a trigonal planar geometry to one C(124), one C(126), and one C(127) atom. The C(125)-C(126) bond length is 1.46 Å. The C(125)-C(127) bond length is 1.44 Å. In the eighty-ninth C site, C(126) is bonded in a distorted bent 120 degrees geometry to one C(125), one N(12), and one H(87) atom. The C(126)-N(12) bond length is 1.35 Å. The C(126)-H(87) bond length is 0.93 Å. In the ninetieth C site, C(127) is bonded in a distorted trigonal planar geometry to one C(125), one N(16), and one N(18) atom. The C(127)-N(16) bond length is 1.32 Å. The C(127)-N(18) bond length is 1.28 Å. In the ninety-first C site, C(128) is bonded in a distorted trigonal planar geometry to one C(138), one N(17), and one N(18) atom. The C(128)-C(138) bond length is 1.53 Å. The C(128)-N(17) bond length is 1.40 Å. The C(128)-N(18) bond length is 1.26 Å. In the ninety-second C site, C(129) is bonded in a 3-coordinate geometry to one C(131), one N(16), and one N(17) atom. The C(129)-C(131) bond length is 1.30 Å. The C(129)-N(16) bond length is 1.49 Å. The C(129)-N(17) bond length is 1.23 Å. In the ninety-third C site, C(130) is bonded in a 2-coordinate geometry to one C(131), one N(19), and one H(88) atom. The C(130)-C(131) bond length is 1.49 Å. The C(130)-N(19) bond length is 1.42 Å. The C(130)-H(88) bond length is 0.93 Å. In the ninety-fourth C site, C(131) is bonded in a distorted trigonal planar geometry to one C(129), one C(130), and one C(132) atom. The C(131)-C(132) bond length is 1.44 Å. In the ninety-fifth C site, C(132) is bonded in a distorted single-bond geometry to one C(131) and one H(89) atom. The C(132)-H(89) bond length is 0.93 Å. In the ninety-sixth C site, C(134) is bonded in a distorted bent 120 degrees geometry to one N(19) and one H(91) atom. The C(134)-N(19) bond length is 1.29 Å. The C(134)-H(91) bond length is 0.93 Å. In the ninety-seventh C site, C(135) is bonded in a distorted bent 120 degrees geometry to one N(20) and one H(92) atom. The C(135)-N(20) bond length is 1.31 Å. The C(135)-H(92) bond length is 0.93 Å. In the ninety-eighth C site, C(137) is bonded in a distorted single-bond geometry to one C(138) and one H(94) atom. The C(137)-C(138) bond length is 1.26 Å. The C(137)-H(94) bond length is 0.93 Å. In the ninety-ninth C site, C(138) is bonded in a trigonal planar geometry to one C(128), one C(137), and one C(139) atom. The C(138)-C(139) bond length is 1.47 Å. In the one hundredth C site, C(139) is bonded in a distorted bent 120 degrees geometry to one C(138), one N(20), and one H(95) atom. The C(139)-N(20) bond length is 1.33 Å. The C(139)-H(95) bond length is 0.93 Å. In the one hundred and first C site, C(140) is bonded in a distorted bent 120 degrees geometry to one C(141), one O(41), and one O(42) atom. The C(140)-C(141) bond length is 1.52 Å. The C(140)-O(41) bond length is 1.29 Å. The C(140)-O(42) bond length is 1.32 Å. In the one hundred and second C site, C(141) is bonded in a trigonal planar geometry to one C(140), one C(142), and one C(146) atom. The C(141)-C(142) bond length is 1.49 Å. The C(141)-C(146) bond length is 1.45 Å. In the one hundred and third C site, C(142) is bonded in a distorted single-bond geometry to one C(141) and one H(96) atom. The C(142)-H(96) bond length is 0.93 Å. In the one hundred and fourth C site, C(146) is bonded in a single-bond geometry to one C(141) and one H(100) atom. The C(146)-H(100) bond length is 0.93 Å. In the one hundred and fifth C site, C(147) is bonded in a distorted bent 120 degrees geometry to one C(148), one O(47), and one O(48) atom. The C(147)-C(148) bond length is 1.50 Å. The C(147)-O(47) bond length is 1.33 Å. The C(147)-O(48) bond length is 1.26 Å. In the one hundred and sixth C site, C(148) is bonded in a trigonal planar geometry to one C(147), one C(149), and one C(153) atom. The C(148)-C(149) bond length is 1.43 Å. The C(148)-C(153) bond length is 1.44 Å. In the one hundred and seventh C site, C(149) is bonded in a distorted single-bond geometry to one C(148) and one H(101) atom. The C(149)-H(101) bond length is 0.93 Å. In the one hundred and eighth C site, C(153) is bonded in a single-bond geometry to one C(148) and one H(105) atom. The C(153)-H(105) bond length is 0.93 Å. In the one hundred and ninth C site, C(154) is bonded in a distorted bent 120 degrees geometry to one C(155), one O(43), and one O(44) atom. The C(154)-C(155) bond length is 1.47 Å. The C(154)-O(43) bond length is 1.21 Å. The C(154)-O(44) bond length is 1.18 Å. In the one hundred and tenth C site, C(155) is bonded in a trigonal planar geometry to one C(154), one C(156), and one C(160) atom. The C(155)-C(156) bond length is 1.48 Å. The C(155)-C(160) bond length is 1.46 Å. In the one hundred and eleventh C site, C(156) is bonded in a distorted single-bond geometry to one C(155) and one H(106) atom. The C(156)-H(106) bond length is 0.93 Å. In the one hundred and twelfth C site, C(160) is bonded in a single-bond geometry to one C(155) and one H(110) atom. The C(160)-H(110) bond length is 0.93 Å. In the one hundred and thirteenth C site, C(161) is bonded in a bent 120 degrees geometry to one C(162), one O(45), and one O(46) atom. The C(161)-C(162) bond length is 1.57 Å. The C(161)-O(45) bond length is 1.34 Å. The C(161)-O(46) bond length is 1.19 Å. In the one hundred and fourteenth C site, C(162) is bonded in a distorted trigonal planar geometry to one C(161), one C(163), and one C(167) atom. The C(162)-C(163) bond length is 1.22 Å. The C(162)-C(167) bond length is 1.41 Å. In the one hundred and fifteenth C site, C(163) is bonded in a distorted single-bond geometry to one C(162) and one H(111) atom. The C(163)-H(111) bond length is 0.93 Å. In the one hundred and sixteenth C site, C(167) is bonded in a distorted single-bond geometry to one C(162) and one H(115) atom. The C(167)-H(115) bond length is 0.93 Å. In the one hundred and seventeenth C site, C(168) is bonded in a distorted bent 120 degrees geometry to one C(169), one O(51), and one O(52) atom. The C(168)-C(169) bond length is 1.53 Å. The C(168)-O(51) bond length is 1.24 Å. The C(168)-O(52) bond length is 1.28 Å. In the one hundred and eighteenth C site, C(169) is bonded in a trigonal planar geometry to one C(168), one C(170), and one C(174) atom. The C(169)-C(170) bond length is 1.46 Å. The C(169)-C(174) bond length is 1.44 Å. In the one hundred and nineteenth C site, C(170) is bonded in a single-bond geometry to one C(169) and one H(116) atom. The C(170)-H(116) bond length is 0.93 Å. In the one hundred and twentieth C site, C(174) is bonded in a distorted single-bond geometry to one C(169) and one H(120) atom. The C(174)-H(120) bond length is 0.93 Å. In the one hundred and twenty-first C site, C(175) is bonded in a distorted bent 120 degrees geometry to one C(176), one O(49), and one O(50) atom. The C(175)-C(176) bond length is 1.57 Å. The C(175)-O(49) bond length is 1.32 Å. The C(175)-O(50) bond length is 1.29 Å. In the one hundred and twenty-second C site, C(176) is bonded in a trigonal planar geometry to one C(175), one C(177), and one C(181) atom. The C(176)-C(177) bond length is 1.33 Å. The C(176)-C(181) bond length is 1.34 Å. In the one hundred and twenty-third C site, C(177) is bonded in a distorted single-bond geometry to one C(176), one C(178), and one H(121) atom. The C(177)-C(178) bond length is 1.32 Å. The C(177)-H(121) bond length is 0.93 Å. In the one hundred and twenty-fourth C site, C(178) is bonded in a distorted trigonal planar geometry to one C(177), one C(179), and one H(122) atom. The C(178)-C(179) bond length is 1.50 Å. The C(178)-H(122) bond length is 0.93 Å. In the one hundred and twenty-fifth C site, C(179) is bonded in a distorted single-bond geometry to one C(178) and one H(123) atom. The C(179)-H(123) bond length is 0.93 Å. In the one hundred and twenty-sixth C site, C(181) is bonded in a distorted single-bond geometry to one C(176) and one H(125) atom. The C(181)-H(125) bond length is 0.93 Å. In the one hundred and twenty-seventh C site, C(182) is bonded in a 2-coordinate geometry to one N(23) and one H(126) atom. The C(182)-N(23) bond length is 1.33 Å. The C(182)-H(126) bond length is 0.93 Å. In the one hundred and twenty-eighth C site, C(184) is bonded in a distorted single-bond geometry to one C(185) and one H(128) atom. The C(184)-C(185) bond length is 1.46 Å. The C(184)-H(128) bond length is 0.93 Å. In the one hundred and twenty-ninth C site, C(185) is bonded in a trigonal planar geometry to one C(184), one C(186), and one C(56) atom. The C(185)-C(186) bond length is 1.32 Å. In the one hundred and thirtieth C site, C(186) is bonded in a 3-coordinate geometry to one C(185), one N(23), and one H(129) atom. The C(186)-N(23) bond length is 1.46 Å. The C(186)-H(129) bond length is 0.93 Å. In the one hundred and thirty-first C site, C(187) is bonded in a distorted bent 120 degrees geometry to one C(188), one N(22), and one H(130) atom. The C(187)-C(188) bond length is 1.54 Å. The C(187)-N(22) bond length is 1.33 Å. The C(187)-H(130) bond length is 0.93 Å. In the one hundred and thirty-second C site, C(188) is bonded in a distorted single-bond geometry to one C(187), one C(189), and one H(131) atom. The C(188)-C(189) bond length is 1.35 Å. The C(188)-H(131) bond length is 0.93 Å. In the one hundred and thirty-third C site, C(189) is bonded in a distorted single-bond geometry to one C(188), one C(190), and one H(132) atom. The C(189)-C(190) bond length is 1.26 Å. The C(189)-H(132) bond length is 0.93 Å. In the one hundred and thirty-fourth C site, C(190) is bonded in a trigonal planar geometry to one C(189), one C(191), and one C(43) atom. The C(190)-C(191) bond length is 1.46 Å. In the one hundred and thirty-fifth C site, C(191) is bonded in a distorted bent 120 degrees geometry to one C(190), one N(22), and one H(133) atom. The C(191)-N(22) bond length is 1.41 Å. The C(191)-H(133) bond length is 0.93 Å. In the one hundred and thirty-sixth C site, C(192) is bonded in a distorted bent 150 degrees geometry to one C(193), one O(29), and one O(30) atom. The C(192)-C(193) bond length is 1.62 Å. The C(192)-O(29) bond length is 1.30 Å. The C(192)-O(30) bond length is 1.23 Å. In the one hundred and thirty-seventh C site, C(193) is bonded in a distorted trigonal planar geometry to one C(192), one C(194), and one C(198) atom. The C(193)-C(194) bond length is 1.31 Å. The C(193)-C(198) bond length is 1.37 Å. In the one hundred and thirty-eighth C site, C(194) is bonded in a distorted single-bond geometry to one C(193) and one H(134) atom. The C(194)-H(134) bond length is 0.93 Å. In the one hundred and thirty-ninth C site, C(198) is bonded in a distorted single-bond geometry to one C(193) and one H(138) atom. The C(198)-H(138) bond length is 0.93 Å. In the one hundred and fortieth C site, C(199) is bonded in a distorted bent 120 degrees geometry to one C(200), one O(39), and one O(40) atom. The C(199)-C(200) bond length is 1.41 Å. The C(199)-O(39) bond length is 1.23 Å. The C(199)-O(40) bond length is 1.37 Å. In the one hundred and forty-first C site, C(200) is bonded in a trigonal planar geometry to one C(199), one C(201), and one C(205) atom. The C(200)-C(201) bond length is 1.42 Å. The C(200)-C(205) bond length is 1.35 Å. In the one hundred and forty-second C site, C(201) is bonded in a distorted single-bond geometry to one C(200) and one H(139) atom. The C(201)-H(139) bond length is 0.93 Å. In the one hundred and forty-third C site, C(205) is bonded in a distorted single-bond geometry to one C(200) and one H(143) atom. The C(205)-H(143) bond length is 0.93 Å. In the one hundred and forty-fourth C site, C(206) is bonded in a trigonal planar geometry to one C(116), one C(207), and one C(211) atom. The C(206)-C(207) bond length is 1.25 Å. The C(206)-C(211) bond length is 1.54 Å. In the one hundred and forty-fifth C site, C(207) is bonded in a distorted single-bond geometry to one C(206) and one H(144) atom. The C(207)-H(144) bond length is 0.93 Å. In the one hundred and forty-sixth C site, C(211) is bonded in a distorted single-bond geometry to one C(206) and one H(148) atom. The C(211)-H(148) bond length is 0.93 Å. In the one hundred and forty-seventh C site, C(212) is bonded in a distorted bent 120 degrees geometry to one C(214), one O(35), and one O(36) atom. The C(212)-C(214) bond length is 1.47 Å. The C(212)-O(35) bond length is 1.25 Å. The C(212)-O(36) bond length is 1.23 Å. In the one hundred and forty-eighth C site, C(213) is bonded in a distorted single-bond geometry to one C(214) and one H(149) atom. The C(213)-C(214) bond length is 1.38 Å. The C(213)-H(149) bond length is 0.93 Å. In the one hundred and forty-ninth C site, C(214) is bonded in a 4-coordinate geometry to one C(212), one C(213), one C(215), and one O(35) atom. The C(214)-C(215) bond length is 1.39 Å. The C(214)-O(35) bond length is 2.06 Å. In the one hundred and fiftieth C site, C(215) is bonded in a distorted single-bond geometry to one C(214) and one H(150) atom. The C(215)-H(150) bond length is 0.93 Å. In the one hundred and fifty-first C site, C(219) is bonded in a distorted bent 120 degrees geometry to one C(220), one O(37), and one O(38) atom. The C(219)-C(220) bond length is 1.56 Å. The C(219)-O(37) bond length is 1.31 Å. The C(219)-O(38) bond length is 1.27 Å. In the one hundred and fifty-second C site, C(220) is bonded in a distorted T-shaped geometry to one C(219), one C(221), and one C(225) atom. The C(220)-C(221) bond length is 1.38 Å. The C(220)-C(225) bond length is 1.43 Å. In the one hundred and fifty-third C site, C(221) is bonded in a distorted single-bond geometry to one C(220) and one H(154) atom. The C(221)-H(154) bond length is 0.93 Å. In the one hundred and fifty-fourth C site, C(225) is bonded in a distorted single-bond geometry to one C(220) and one H(158) atom. The C(225)-H(158) bond length is 0.93 Å. In the one hundred and fifty-fifth C site, C(226) is bonded in a distorted bent 120 degrees geometry to one C(227), one O(31), and one O(32) atom. The C(226)-C(227) bond length is 1.49 Å. The C(226)-O(31) bond length is 1.31 Å. The C(226)-O(32) bond length is 1.28 Å. In the one hundred and fifty-sixth C site, C(227) is bonded in a trigonal planar geometry to one C(226), one C(228), and one C(232) atom. The C(227)-C(228) bond length is 1.38 Å. The C(227)-C(232) bond length is 1.36 Å. In the one hundred and fifty-seventh C site, C(228) is bonded in a distorted single-bond geometry to one C(227), one C(229), and one H(159) atom. The C(228)-C(229) bond length is 1.38 Å. The C(228)-H(159) bond length is 0.93 Å. In the one hundred and fifty-eighth C site, C(229) is bonded in a distorted single-bond geometry to one C(228), one C(230), and one H(160) atom. The C(229)-C(230) bond length is 1.30 Å. The C(229)-H(160) bond length is 0.93 Å. In the one hundred and fifty-ninth C site, C(230) is bonded in a distorted single-bond geometry to one C(229) and one H(161) atom. The C(230)-H(161) bond length is 0.93 Å. In the one hundred and sixtieth C site, C(232) is bonded in a distorted single-bond geometry to one C(227) and one H(163) atom. The C(232)-H(163) bond length is 0.93 Å. In the one hundred and sixty-first C site, C(233) is bonded in a 3-coordinate geometry to one C(83), one O(23), and one O(24) atom. The C(233)-O(23) bond length is 1.41 Å. The C(233)-O(24) bond length is 1.42 Å. In the one hundred and sixty-second C site, C(234) is bonded in a distorted trigonal planar geometry to one C(45), one N(4), and one N(6) atom. The C(234)-N(4) bond length is 1.38 Å. The C(234)-N(6) bond length is 1.41 Å. There are twenty-four inequivalent N sites. In the first N site, N(1) is bonded in a trigonal planar geometry to one Fe(1), one C(44), and one C(48) atom. In the second N site, N(2) is bonded in a trigonal planar geometry to one Fe(2), one C(37), and one C(41) atom. In the third N site, N(3) is bonded in a trigonal planar geometry to one Fe(3), one C(49), and one C(53) atom. In the fourth N site, N(4) is bonded in a bent 120 degrees geometry to one C(234) and one C(42) atom. In the fifth N site, N(5) is bonded in a bent 120 degrees geometry to one C(42) and one C(43) atom. In the sixth N site, N(6) is bonded in a bent 120 degrees geometry to one C(234) and one C(43) atom. In the seventh N site, N(7) is bonded in a water-like geometry to one C(54) and one C(55) atom. In the eighth N site, N(8) is bonded in a water-like geometry to one C(54) and one C(56) atom. In the ninth N site, N(9) is bonded in a bent 120 degrees geometry to one C(55) and one C(56) atom. In the tenth N site, N(10) is bonded in a trigonal planar geometry to one Fe(4), one C(60), and one C(61) atom. In the eleventh N site, N(11) is bonded in a distorted trigonal planar geometry to one Fe(5), one C(103), and one C(107) atom. In the twelfth N site, N(12) is bonded in a trigonal planar geometry to one Fe(6), one C(122), and one C(126) atom. In the thirteenth N site, N(13) is bonded in a water-like geometry to one C(108) and one C(109) atom. In the fourteenth N site, N(14) is bonded in a water-like geometry to one C(108) and one C(110) atom. In the fifteenth N site, N(15) is bonded in a water-like geometry to one C(109) and one C(110) atom. In the sixteenth N site, N(16) is bonded in a bent 120 degrees geometry to one C(127) and one C(129) atom. In the seventeenth N site, N(17) is bonded in a bent 120 degrees geometry to one C(128) and one C(129) atom. In the eighteenth N site, N(18) is bonded in a bent 120 degrees geometry to one C(127) and one C(128) atom. In the nineteenth N site, N(19) is bonded in a trigonal planar geometry to one Fe(9), one C(130), and one C(134) atom. In the twentieth N site, N(20) is bonded in a trigonal planar geometry to one Fe(12), one C(135), and one C(139) atom. In the twenty-first N site, N(21) is bonded in a trigonal planar geometry to one Fe(7), one C(117), and one C(121) atom. In the twenty-second N site, N(22) is bonded in a trigonal planar geometry to one Fe(10), one C(187), and one C(191) atom. In the twenty-third N site, N(23) is bonded in a trigonal planar geometry to one Fe(11), one C(182), and one C(186) atom. In the twenty-fourth N site, N(24) is bonded in a distorted trigonal planar geometry to one Fe(8), one C(114), and one C(115) atom. There are ninety-one inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one C(3) atom. In the second H site, H(5) is bonded in a single-bond geometry to one C(7) atom. In the third H site, H(6) is bonded in a single-bond geometry to one C(10) atom. In the fourth H site, H(10) is bonded in a single-bond geometry to one C(14) atom. In the fifth H site, H(11) is bonded in a single-bond geometry to one C(18) atom. In the sixth H site, H(15) is bonded in a single-bond geometry to one C(22) atom. In the seventh H site, H(16) is bonded in a single-bond geometry to one C(25) atom. In the eighth H site, H(20) is bonded in a single-bond geometry to one C(29) atom. In the ninth H site, H(21) is bonded in a single-bond geometry to one C(32) atom. In the tenth H site, H(25) is bonded in a single-bond geometry to one C(36) atom. In the eleventh H site, H(26) is bonded in a single-bond geometry to one C(37) atom. In the twelfth H site, H(27) is bonded in a single-bond geometry to one C(38) atom. In the thirteenth H site, H(28) is bonded in a single-bond geometry to one C(39) atom. In the fourteenth H site, H(29) is bonded in a single-bond geometry to one C(41) atom. In the fifteenth H site, H(30) is bonded in a single-bond geometry to one C(44) atom. In the sixteenth H site, H(31) is bonded in a single-bond geometry to one C(46) atom. In the seventeenth H site, H(33) is bonded in a single-bond geometry to one C(48) atom. In the eighteenth H site, H(34) is bonded in a single-bond geometry to one C(49) atom. In the nineteenth H site, H(36) is bonded in a single-bond geometry to one C(51) atom. In the twentieth H site, H(37) is bonded in a single-bond geometry to one C(53) atom. In the twenty-first H site, H(38) is bonded in a single-bond geometry to one C(58) atom. In the twenty-second H site, H(40) is bonded in a single-bond geometry to one C(60) atom. In the twenty-third H site, H(41) is bonded in a single-bond geometry to one C(61) atom. In the twenty-fourth H site, H(42) is bonded in a single-bond geometry to one C(64) atom. In the twenty-fifth H site, H(44) is bonded in a single-bond geometry to one C(66) atom. In the twenty-sixth H site, H(45) is bonded in a single-bond geometry to one C(67) atom. In the twenty-seventh H site, H(46) is bonded in a single-bond geometry to one C(68) atom. In the twenty-eighth H site, H(47) is bonded in a single-bond geometry to one C(71) atom. In the twenty-ninth H site, H(51) is bonded in a single-bond geometry to one C(75) atom. In the thirtieth H site, H(52) is bonded in a single-bond geometry to one C(78) atom. In the thirty-first H site, H(56) is bonded in a single-bond geometry to one C(82) atom. In the thirty-second H site, H(57) is bonded in a single-bond geometry to one C(84) atom. In the thirty-third H site, H(61) is bonded in a single-bond geometry to one C(88) atom. In the thirty-fourth H site, H(62) is bonded in a single-bond geometry to one C(91) atom. In the thirty-fifth H site, H(66) is bonded in a single-bond geometry to one C(95) atom. In the thirty-sixth H site, H(67) is bonded in a single-bond geometry to one C(98) atom. In the thirty-seventh H site, H(71) is bonded in a single-bond geometry to one C(102) atom. In the thirty-eighth H site, H(72) is bonded in a single-bond geometry to one C(103) atom. In the thirty-ninth H site, H(74) is bonded in a single-bond geometry to one C(105) atom. In the fortieth H site, H(75) is bonded in a single-bond geometry to one C(107) atom. In the forty-first H site, H(76) is bonded in a single-bond geometry to one C(112) atom. In the forty-second H site, H(77) is bonded in a single-bond geometry to one C(113) atom. In the forty-third H site, H(78) is bonded in a single-bond geometry to one C(114) atom. In the forty-fourth H site, H(79) is bonded in a single-bond geometry to one C(115) atom. In the forty-fifth H site, H(80) is bonded in a single-bond geometry to one C(117) atom. In the forty-sixth H site, H(81) is bonded in a single-bond geometry to one C(119) atom. In the forty-seventh H site, H(83) is bonded in a single-bond geometry to one C(121) atom. In the forty-eighth H site, H(84) is bonded in a single-bond geometry to one C(122) atom. In the forty-ninth H site, H(86) is bonded in a single-bond geometry to one C(124) atom. In the fiftieth H site, H(87) is bonded in a single-bond geometry to one C(126) atom. In the fifty-first H site, H(88) is bonded in a single-bond geometry to one C(130) atom. In the fifty-second H site, H(89) is bonded in a single-bond geometry to one C(132) atom. In the fifty-third H site, H(91) is bonded in a single-bond geometry to one C(134) atom. In the fifty-fourth H site, H(92) is bonded in a single-bond geometry to one C(135) atom. In the fifty-fifth H site, H(94) is bonded in a single-bond geometry to one C(137) atom. In the fifty-sixth H site, H(95) is bonded in a single-bond geometry to one C(139) atom. In the fifty-seventh H site, H(96) is bonded in a single-bond geometry to one C(142) atom. In the fifty-eighth H site, H(100) is bonded in a single-bond geometry to one C(146) atom. In the fifty-ninth H site, H(101) is bonded in a single-bond geometry to one C(149) atom. In the sixtieth H site, H(105) is bonded in a single-bond geometry to one C(153) atom. In the sixty-first H site, H(106) is bonded in a single-bond geometry to one C(156) atom. In the sixty-second H site, H(110) is bonded in a single-bond geometry to one C(160) atom. In the sixty-third H site, H(111) is bonded in a single-bond geometry to one C(163) atom. In the sixty-fourth H site, H(115) is bonded in a single-bond geometry to one C(167) atom. In the sixty-fifth H site, H(116) is bonded in a single-bond geometry to one C(170) atom. In the sixty-sixth H site, H(120) is bonded in a single-bond geometry to one C(174) atom. In the sixty-seventh H site, H(121) is bonded in a single-bond geometry to one C(177) atom. In the sixty-eighth H site, H(122) is bonded in a single-bond geometry to one C(178) atom. In the sixty-ninth H site, H(123) is bonded in a single-bond geometry to one C(179) atom. In the seventieth H site, H(125) is bonded in a single-bond geometry to one C(181) atom. In the seventy-first H site, H(126) is bonded in a single-bond geometry to one C(182) atom. In the seventy-second H site, H(128) is bonded in a single-bond geometry to one C(184) atom. In the seventy-third H site, H(129) is bonded in a single-bond geometry to one C(186) atom. In the seventy-fourth H site, H(130) is bonded in a single-bond geometry to one C(187) atom. In the seventy-fifth H site, H(131) is bonded in a single-bond geometry to one C(188) atom. In the seventy-sixth H site, H(132) is bonded in a single-bond geometry to one C(189) atom. In the seventy-seventh H site, H(133) is bonded in a single-bond geometry to one C(191) atom. In the seventy-eighth H site, H(134) is bonded in a single-bond geometry to one C(194) atom. In the seventy-ninth H site, H(138) is bonded in a single-bond geometry to one C(198) atom. In the eightieth H site, H(139) is bonded in a single-bond geometry to one C(201) atom. In the eighty-first H site, H(143) is bonded in a single-bond geometry to one C(205) atom. In the eighty-second H site, H(144) is bonded in a single-bond geometry to one C(207) atom. In the eighty-third H site, H(148) is bonded in a single-bond geometry to one C(211) atom. In the eighty-fourth H site, H(149) is bonded in a single-bond geometry to one C(213) atom. In the eighty-fifth H site, H(150) is bonded in a single-bond geometry to one C(215) atom. In the eighty-sixth H site, H(154) is bonded in a single-bond geometry to one C(221) atom. In the eighty-seventh H site, H(158) is bonded in a single-bond geometry to one C(225) atom. In the eighty-eighth H site, H(159) is bonded in a single-bond geometry to one C(228) atom. In the eighty-ninth H site, H(160) is bonded in a single-bond geometry to one C(229) atom. In the ninetieth H site, H(161) is bonded in a single-bond geometry to one C(230) atom. In the ninety-first H site, H(163) is bonded in a single-bond geometry to one C(232) atom. There are fifty-two inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one Fe(1) and one C(1) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Fe(1), one Fe(2), and one Fe(3) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one Fe(2) and one C(1) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Fe(4), one Fe(5), and one Fe(6) atom. In the fifth O site, O(5) is bonded in a distorted bent 120 degrees geometry to one Fe(1) and one C(8) atom. In the sixth O site, O(6) is bonded in a trigonal planar geometry to one Fe(7), one Fe(8), and one Fe(9) atom. In the seventh O site, O(7) is bonded in a bent 120 degrees geometry to one Fe(2) and one C(8) atom. In the eighth O site, O(8) is bonded in a trigonal planar geometry to one Fe(10), one Fe(11), and one Fe(12) atom. In the ninth O site, O(9) is bonded in a bent 120 degrees geometry to one Fe(2) and one C(15) atom. In the tenth O site, O(10) is bonded in a bent 120 degrees geometry to one Fe(3) and one C(15) atom. In the eleventh O site, O(11) is bonded in a distorted bent 150 degrees geometry to one Fe(2) and one C(16) atom. In the twelfth O site, O(12) is bonded in a bent 120 degrees geometry to one Fe(3) and one C(16) atom. In the thirteenth O site, O(13) is bonded in a bent 120 degrees geometry to one Fe(3) and one C(23) atom. In the fourteenth O site, O(14) is bonded in a bent 120 degrees geometry to one Fe(1) and one C(23) atom. In the fifteenth O site, O(15) is bonded in a bent 120 degrees geometry to one Fe(3) and one C(30) atom. In the sixteenth O site, O(16) is bonded in a bent 120 degrees geometry to one Fe(1) and one C(30) atom. In the seventeenth O site, O(17) is bonded in a bent 150 degrees geometry to one Fe(4) and one C(89) atom. In the eighteenth O site, O(18) is bonded in a distorted bent 150 degrees geometry to one Fe(5) and one C(89) atom. In the nineteenth O site, O(19) is bonded in a bent 120 degrees geometry to one Fe(4) and one C(96) atom. In the twentieth O site, O(20) is bonded in a bent 120 degrees geometry to one Fe(5) and one C(96) atom. In the twenty-first O site, O(21) is bonded in a distorted bent 150 degrees geometry to one Fe(5) and one C(76) atom. In the twenty-second O site, O(22) is bonded in a distorted bent 120 degrees geometry to one Fe(6) and one C(76) atom. In the twenty-third O site, O(23) is bonded in a bent 150 degrees geometry to one Fe(5) and one C(233) atom. In the twenty-fourth O site, O(24) is bonded in a distorted bent 150 degrees geometry to one Fe(6) and one C(233) atom. In the twenty-fifth O site, O(25) is bonded in a distorted bent 120 degrees geometry to one Fe(6) and one C(69) atom. In the twenty-sixth O site, O(26) is bonded in a bent 120 degrees geometry to one Fe(4) and one C(69) atom. In the twenty-seventh O site, O(27) is bonded in a bent 120 degrees geometry to one Fe(6) and one C(62) atom. In the twenty-eighth O site, O(28) is bonded in a bent 120 degrees geometry to one Fe(4) and one C(62) atom. In the twenty-ninth O site, O(29) is bonded in a bent 120 degrees geometry to one Fe(7) and one C(192) atom. In the thirtieth O site, O(30) is bonded in a bent 120 degrees geometry to one Fe(9) and one C(192) atom. In the thirty-first O site, O(31) is bonded in a bent 120 degrees geometry to one Fe(7) and one C(226) atom. In the thirty-second O site, O(32) is bonded in a distorted bent 150 degrees geometry to one Fe(9) and one C(226) atom. In the thirty-third O site, O(33) is bonded in a bent 120 degrees geometry to one Fe(9) and one C(116) atom. In the thirty-fourth O site, O(34) is bonded in a bent 120 degrees geometry to one Fe(8) and one C(116) atom. In the thirty-fifth O site, O(35) is bonded in a bent 120 degrees geometry to one Fe(9), one C(212), and one C(214) atom. In the thirty-sixth O site, O(36) is bonded in a bent 120 degrees geometry to one Fe(8) and one C(212) atom. In the thirty-seventh O site, O(37) is bonded in a bent 120 degrees geometry to one Fe(8) and one C(219) atom. In the thirty-eighth O site, O(38) is bonded in a distorted bent 150 degrees geometry to one Fe(7) and one C(219) atom. In the thirty-ninth O site, O(39) is bonded in a bent 120 degrees geometry to one Fe(8) and one C(199) atom. In the fortieth O site, O(40) is bonded in a bent 120 degrees geometry to one Fe(7) and one C(199) atom. In the forty-first O site, O(41) is bonded in a bent 150 degrees geometry to one Fe(12) and one C(140) atom. In the forty-second O site, O(42) is bonded in a bent 120 degrees geometry to one Fe(10) and one C(140) atom. In the forty-third O site, O(43) is bonded in a distorted bent 120 degrees geometry to one Fe(12) and one C(154) atom. In the forty-fourth O site, O(44) is bonded in a bent 120 degrees geometry to one Fe(10) and one C(154) atom. In the forty-fifth O site, O(45) is bonded in a distorted bent 150 degrees geometry to one Fe(12) and one C(161) atom. In the forty-sixth O site, O(46) is bonded in a distorted bent 150 degrees geometry to one Fe(11) and one C(161) atom. In the forty-seventh O site, O(47) is bonded in a bent 120 degrees geometry to one Fe(12) and one C(147) atom. In the forty-eighth O site, O(48) is bonded in a bent 120 degrees geometry to one Fe(11) and one C(147) atom. In the forty-ninth O site, O(49) is bonded in a distorted bent 150 degrees geometry to one Fe(11) and one C(175) atom. In the fiftieth O site, O(50) is bonded in a bent 120 degrees geometry to one Fe(10) and one C(175) atom. In the fifty-first O site, O(51) is bonded in a bent 120 degrees geometry to one Fe(11) and one C(168) atom. In the fifty-second O site, O(52) is bonded in a distorted bent 120 degrees geometry to one Fe(10) and one C(168) atom. Linkers: 16 c1ccc(cn1)C1=NC(=[N]=C([N]1)c1cccnc1)c1cccnc1. Metal clusters: 48 [Fe]. The MOF has largest included sphere 6.89 A, density 1.05 g/cm3, surface area 4593.56 m2/g, accessible volume 0.48 cm3/g