Ni3C38H30(N4O7)2 crystallizes in the triclinic P1 space group. There are six inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in an octahedral geometry to one N(2), one N(4), one O(11), one O(13), one O(15), and one O(9) atom. The Ni(1)-N(2) bond length is 2.12 Å. The Ni(1)-N(4) bond length is 2.12 Å. The Ni(1)-O(11) bond length is 2.13 Å. The Ni(1)-O(13) bond length is 2.13 Å. The Ni(1)-O(15) bond length is 2.13 Å. The Ni(1)-O(9) bond length is 2.13 Å. In the second Ni site, Ni(2) is bonded in an octahedral geometry to one N(1), one N(3), one O(10), one O(12), one O(14), and one O(16) atom. The Ni(2)-N(1) bond length is 2.12 Å. The Ni(2)-N(3) bond length is 2.12 Å. The Ni(2)-O(10) bond length is 2.13 Å. The Ni(2)-O(12) bond length is 2.13 Å. The Ni(2)-O(14) bond length is 2.12 Å. The Ni(2)-O(16) bond length is 2.13 Å. In the third Ni site, Ni(3) is bonded in an octahedral geometry to one N(6), one N(9), one O(1), one O(17), one O(25), and one O(5) atom. The Ni(3)-N(6) bond length is 2.23 Å. The Ni(3)-N(9) bond length is 1.97 Å. The Ni(3)-O(1) bond length is 2.00 Å. The Ni(3)-O(17) bond length is 2.14 Å. The Ni(3)-O(25) bond length is 2.24 Å. The Ni(3)-O(5) bond length is 2.04 Å. In the fourth Ni site, Ni(4) is bonded in an octahedral geometry to one N(10), one N(5), one O(18), one O(2), one O(26), and one O(6) atom. The Ni(4)-N(10) bond length is 2.01 Å. The Ni(4)-N(5) bond length is 2.16 Å. The Ni(4)-O(18) bond length is 2.14 Å. The Ni(4)-O(2) bond length is 2.00 Å. The Ni(4)-O(26) bond length is 2.16 Å. The Ni(4)-O(6) bond length is 2.09 Å. In the fifth Ni site, Ni(5) is bonded in an octahedral geometry to one N(11), one N(8), one O(19), one O(27), one O(3), and one O(7) atom. The Ni(5)-N(11) bond length is 2.01 Å. The Ni(5)-N(8) bond length is 2.16 Å. The Ni(5)-O(19) bond length is 2.15 Å. The Ni(5)-O(27) bond length is 2.15 Å. The Ni(5)-O(3) bond length is 2.00 Å. The Ni(5)-O(7) bond length is 2.09 Å. In the sixth Ni site, Ni(6) is bonded in an octahedral geometry to one N(12), one N(7), one O(20), one O(28), one O(4), and one O(8) atom. The Ni(6)-N(12) bond length is 2.01 Å. The Ni(6)-N(7) bond length is 2.16 Å. The Ni(6)-O(20) bond length is 2.15 Å. The Ni(6)-O(28) bond length is 2.16 Å. The Ni(6)-O(4) bond length is 2.00 Å. The Ni(6)-O(8) bond length is 2.09 Å. There are seventy-four inequivalent C sites. In the first C site, C(1) is bonded in a distorted bent 120 degrees geometry to one N(9) and one H(1) atom. The C(1)-N(9) bond length is 1.35 Å. The C(1)-H(1) bond length is 1.09 Å. In the second C site, C(2) is bonded in a distorted bent 120 degrees geometry to one N(10) and one H(2) atom. The C(2)-N(10) bond length is 1.35 Å. The C(2)-H(2) bond length is 1.09 Å. In the third C site, C(3) is bonded in a distorted bent 120 degrees geometry to one N(11) and one H(3) atom. The C(3)-N(11) bond length is 1.35 Å. The C(3)-H(3) bond length is 1.09 Å. In the fourth C site, C(4) is bonded in a distorted bent 120 degrees geometry to one N(12) and one H(4) atom. The C(4)-N(12) bond length is 1.35 Å. The C(4)-H(4) bond length is 1.09 Å. In the fifth C site, C(5) is bonded in a distorted trigonal planar geometry to one C(17), one C(21), and one N(5) atom. The C(5)-C(17) bond length is 1.39 Å. The C(5)-C(21) bond length is 1.40 Å. The C(5)-N(5) bond length is 1.43 Å. In the sixth C site, C(6) is bonded in a distorted trigonal planar geometry to one C(18), one C(22), and one N(6) atom. The C(6)-C(18) bond length is 1.40 Å. The C(6)-C(22) bond length is 1.39 Å. The C(6)-N(6) bond length is 1.42 Å. In the seventh C site, C(7) is bonded in a distorted trigonal planar geometry to one C(19,20); one C(23,24); and one N(7) atom. The C(7)-C(19,20) bond length is 1.39 Å. The C(7)-C(23,24) bond length is 1.39 Å. The C(7)-N(7) bond length is 1.43 Å. In the eighth C site, C(8) is bonded in a distorted trigonal planar geometry to one C(19,20); one C(23,24); and one N(8) atom. The C(8)-C(19,20) bond length is 1.39 Å. The C(8)-C(23,24) bond length is 1.39 Å. The C(8)-N(8) bond length is 1.43 Å. In the ninth C site, C(9) is bonded in a trigonal planar geometry to one C(21), one C(25), and one C(37) atom. The C(9)-C(21) bond length is 1.40 Å. The C(9)-C(25) bond length is 1.41 Å. The C(9)-C(37) bond length is 1.50 Å. In the tenth C site, C(10) is bonded in a trigonal planar geometry to one C(22), one C(26), and one C(38) atom. The C(10)-C(22) bond length is 1.40 Å. The C(10)-C(26) bond length is 1.41 Å. The C(10)-C(38) bond length is 1.49 Å. In the eleventh C site, C(11) is bonded in a trigonal planar geometry to one C(23,24); one C(27); and one C(39) atom. The C(11)-C(23,24) bond length is 1.40 Å. The C(11)-C(27) bond length is 1.40 Å. The C(11)-C(39) bond length is 1.49 Å. In the twelfth C site, C(12) is bonded in a trigonal planar geometry to one C(23,24); one C(28); and one C(40) atom. The C(12)-C(23,24) bond length is 1.40 Å. The C(12)-C(28) bond length is 1.40 Å. The C(12)-C(40) bond length is 1.49 Å. In the thirteenth C site, C(13) is bonded in a trigonal planar geometry to one C(17), one C(25), and one C(33) atom. The C(13)-C(17) bond length is 1.40 Å. The C(13)-C(25) bond length is 1.41 Å. The C(13)-C(33) bond length is 1.49 Å. In the fourteenth C site, C(14) is bonded in a trigonal planar geometry to one C(18), one C(26), and one C(34) atom. The C(14)-C(18) bond length is 1.40 Å. The C(14)-C(26) bond length is 1.41 Å. The C(14)-C(34) bond length is 1.49 Å. In the fifteenth C site, C(15) is bonded in a trigonal planar geometry to one C(19,20); one C(27); and one C(35) atom. The C(15)-C(19,20) bond length is 1.40 Å. The C(15)-C(27) bond length is 1.41 Å. The C(15)-C(35) bond length is 1.49 Å. In the sixteenth C site, C(16) is bonded in a trigonal planar geometry to one C(19,20); one C(28); and one C(36) atom. The C(16)-C(19,20) bond length is 1.40 Å. The C(16)-C(28) bond length is 1.41 Å. The C(16)-C(36) bond length is 1.49 Å. In the seventeenth C site, C(17) is bonded in a distorted single-bond geometry to one C(13), one C(5), and one H(21) atom. The C(17)-H(21) bond length is 1.09 Å. In the eighteenth C site, C(18) is bonded in a distorted single-bond geometry to one C(14); one C(6); and one H(22,23) atom. The C(18)-H(22,23) bond length is 1.09 Å. In the nineteenth C site, C(19,20) is bonded in a distorted single-bond geometry to one C(15); one C(7); and one H(22,23) atom. The C(19,20)-H(22,23) bond length is 1.09 Å. In the twentieth C site, C(21) is bonded in a distorted single-bond geometry to one C(5); one C(9); and one H(25,27) atom. The C(21)-H(25,27) bond length is 1.09 Å. In the twenty-first C site, C(22) is bonded in a distorted single-bond geometry to one C(10), one C(6), and one H(26) atom. The C(22)-H(26) bond length is 1.09 Å. In the twenty-second C site, C(23,24) is bonded in a distorted single-bond geometry to one C(11); one C(7); and one H(25,27) atom. The C(23,24)-H(25,27) bond length is 1.09 Å. In the twenty-third C site, C(25) is bonded in a trigonal planar geometry to one C(13), one C(29), and one C(9) atom. The C(25)-C(29) bond length is 1.52 Å. In the twenty-fourth C site, C(26) is bonded in a trigonal planar geometry to one C(10), one C(14), and one C(30) atom. The C(26)-C(30) bond length is 1.52 Å. In the twenty-fifth C site, C(27) is bonded in a trigonal planar geometry to one C(11), one C(15), and one C(31) atom. The C(27)-C(31) bond length is 1.52 Å. In the twenty-sixth C site, C(28) is bonded in a trigonal planar geometry to one C(12), one C(16), and one C(32) atom. The C(28)-C(32) bond length is 1.52 Å. In the twenty-seventh C site, C(29) is bonded in a distorted bent 120 degrees geometry to one C(25), one O(21), and one O(9) atom. The C(29)-O(21) bond length is 1.24 Å. The C(29)-O(9) bond length is 1.29 Å. In the twenty-eighth C site, C(30) is bonded in a distorted bent 120 degrees geometry to one C(26), one O(10), and one O(22) atom. The C(30)-O(10) bond length is 1.29 Å. The C(30)-O(22) bond length is 1.24 Å. In the twenty-ninth C site, C(31) is bonded in a distorted bent 120 degrees geometry to one C(27), one O(11), and one O(23) atom. The C(31)-O(11) bond length is 1.29 Å. The C(31)-O(23) bond length is 1.24 Å. In the thirtieth C site, C(32) is bonded in a distorted bent 120 degrees geometry to one C(28), one O(12), and one O(24) atom. The C(32)-O(12) bond length is 1.29 Å. The C(32)-O(24) bond length is 1.24 Å. In the thirty-first C site, C(33) is bonded in a distorted bent 120 degrees geometry to one C(13), one O(17), and one O(5) atom. The C(33)-O(17) bond length is 1.27 Å. The C(33)-O(5) bond length is 1.30 Å. In the thirty-second C site, C(34) is bonded in a distorted bent 120 degrees geometry to one C(14), one O(18), and one O(6) atom. The C(34)-O(18) bond length is 1.27 Å. The C(34)-O(6) bond length is 1.29 Å. In the thirty-third C site, C(35) is bonded in a distorted bent 120 degrees geometry to one C(15), one O(19), and one O(7) atom. The C(35)-O(19) bond length is 1.27 Å. The C(35)-O(7) bond length is 1.29 Å. In the thirty-fourth C site, C(36) is bonded in a distorted bent 120 degrees geometry to one C(16), one O(20), and one O(8) atom. The C(36)-O(20) bond length is 1.27 Å. The C(36)-O(8) bond length is 1.29 Å. In the thirty-fifth C site, C(37) is bonded in a distorted bent 120 degrees geometry to one C(9), one O(1), and one O(13) atom. The C(37)-O(1) bond length is 1.27 Å. The C(37)-O(13) bond length is 1.28 Å. In the thirty-sixth C site, C(38) is bonded in a distorted bent 120 degrees geometry to one C(10), one O(14), and one O(2) atom. The C(38)-O(14) bond length is 1.28 Å. The C(38)-O(2) bond length is 1.27 Å. In the thirty-seventh C site, C(39) is bonded in a distorted bent 120 degrees geometry to one C(11), one O(15), and one O(3) atom. The C(39)-O(15) bond length is 1.28 Å. The C(39)-O(3) bond length is 1.27 Å. In the thirty-eighth C site, C(40) is bonded in a distorted bent 120 degrees geometry to one C(12), one O(16), and one O(4) atom. The C(40)-O(16) bond length is 1.28 Å. The C(40)-O(4) bond length is 1.27 Å. In the thirty-ninth C site, C(41) is bonded in a distorted bent 120 degrees geometry to one C(45), one N(1), and one H(29) atom. The C(41)-C(45) bond length is 1.41 Å. The C(41)-N(1) bond length is 1.33 Å. The C(41)-H(29) bond length is 1.09 Å. In the fortieth C site, C(42) is bonded in a distorted bent 120 degrees geometry to one C(46), one N(2), and one H(30) atom. The C(42)-C(46) bond length is 1.41 Å. The C(42)-N(2) bond length is 1.33 Å. The C(42)-H(30) bond length is 1.09 Å. In the forty-first C site, C(43) is bonded in a distorted bent 120 degrees geometry to one C(47), one N(3), and one H(31) atom. The C(43)-C(47) bond length is 1.41 Å. The C(43)-N(3) bond length is 1.33 Å. The C(43)-H(31) bond length is 1.09 Å. In the forty-second C site, C(44) is bonded in a distorted bent 120 degrees geometry to one C(48), one N(4), and one H(32) atom. The C(44)-C(48) bond length is 1.41 Å. The C(44)-N(4) bond length is 1.33 Å. The C(44)-H(32) bond length is 1.09 Å. In the forty-third C site, C(45) is bonded in a distorted trigonal planar geometry to one C(41), one C(49), and one N(13) atom. The C(45)-C(49) bond length is 1.42 Å. The C(45)-N(13) bond length is 1.38 Å. In the forty-fourth C site, C(46) is bonded in a distorted trigonal planar geometry to one C(42), one C(50), and one N(14) atom. The C(46)-C(50) bond length is 1.42 Å. The C(46)-N(14) bond length is 1.38 Å. In the forty-fifth C site, C(47) is bonded in a distorted trigonal planar geometry to one C(43), one C(51), and one N(15) atom. The C(47)-C(51) bond length is 1.42 Å. The C(47)-N(15) bond length is 1.38 Å. In the forty-sixth C site, C(48) is bonded in a distorted trigonal planar geometry to one C(44), one C(52), and one N(16) atom. The C(48)-C(52) bond length is 1.42 Å. The C(48)-N(16) bond length is 1.38 Å. In the forty-seventh C site, C(49) is bonded in a trigonal planar geometry to one C(45), one C(53), and one C(61) atom. The C(49)-C(53) bond length is 1.47 Å. The C(49)-C(61) bond length is 1.41 Å. In the forty-eighth C site, C(50) is bonded in a trigonal planar geometry to one C(46), one C(54), and one C(62) atom. The C(50)-C(54) bond length is 1.47 Å. The C(50)-C(62) bond length is 1.41 Å. In the forty-ninth C site, C(51) is bonded in a trigonal planar geometry to one C(47), one C(55), and one C(63) atom. The C(51)-C(55) bond length is 1.47 Å. The C(51)-C(63) bond length is 1.41 Å. In the fiftieth C site, C(52) is bonded in a trigonal planar geometry to one C(48), one C(56), and one C(64) atom. The C(52)-C(56) bond length is 1.47 Å. The C(52)-C(64) bond length is 1.41 Å. In the fifty-first C site, C(53) is bonded in a trigonal planar geometry to one C(49), one C(69), and one C(73) atom. The C(53)-C(69) bond length is 1.41 Å. The C(53)-C(73) bond length is 1.40 Å. In the fifty-second C site, C(54) is bonded in a trigonal planar geometry to one C(50), one C(70), and one C(74) atom. The C(54)-C(70) bond length is 1.41 Å. The C(54)-C(74) bond length is 1.40 Å. In the fifty-third C site, C(55) is bonded in a trigonal planar geometry to one C(51), one C(71), and one C(75) atom. The C(55)-C(71) bond length is 1.41 Å. The C(55)-C(75) bond length is 1.41 Å. In the fifty-fourth C site, C(56) is bonded in a trigonal planar geometry to one C(52), one C(72), and one C(76) atom. The C(56)-C(72) bond length is 1.41 Å. The C(56)-C(76) bond length is 1.41 Å. In the fifty-fifth C site, C(57) is bonded in a distorted trigonal planar geometry to one C(61); one N(1); and one H(33,35) atom. The C(57)-C(61) bond length is 1.39 Å. The C(57)-N(1) bond length is 1.35 Å. The C(57)-H(33,35) bond length is 1.09 Å. In the fifty-sixth C site, C(58) is bonded in a distorted trigonal planar geometry to one C(62), one N(2), and one H(34) atom. The C(58)-C(62) bond length is 1.39 Å. The C(58)-N(2) bond length is 1.35 Å. The C(58)-H(34) bond length is 1.09 Å. In the fifty-seventh C site, C(59) is bonded in a distorted trigonal planar geometry to one C(63); one N(3); and one H(33,35) atom. The C(59)-C(63) bond length is 1.39 Å. The C(59)-N(3) bond length is 1.35 Å. The C(59)-H(33,35) bond length is 1.09 Å. In the fifty-eighth C site, C(60) is bonded in a distorted trigonal planar geometry to one C(64), one N(4), and one H(36) atom. The C(60)-C(64) bond length is 1.39 Å. The C(60)-N(4) bond length is 1.35 Å. The C(60)-H(36) bond length is 1.09 Å. In the fifty-ninth C site, C(61) is bonded in a distorted single-bond geometry to one C(49); one C(57); and one H(37,40) atom. The C(61)-H(37,40) bond length is 1.09 Å. In the sixtieth C site, C(62) is bonded in a distorted single-bond geometry to one C(50); one C(58); and one H(38,39) atom. The C(62)-H(38,39) bond length is 1.09 Å. In the sixty-first C site, C(63) is bonded in a distorted single-bond geometry to one C(51); one C(59); and one H(38,39) atom. The C(63)-H(38,39) bond length is 1.09 Å. In the sixty-second C site, C(64) is bonded in a distorted single-bond geometry to one C(52); one C(60); and one H(37,40) atom. The C(64)-H(37,40) bond length is 1.09 Å. In the sixty-third C site, C(65) is bonded in a distorted trigonal planar geometry to one C(69), one N(9), and one H(41) atom. The C(65)-C(69) bond length is 1.39 Å. The C(65)-N(9) bond length is 1.35 Å. The C(65)-H(41) bond length is 1.09 Å. In the sixty-fourth C site, C(66) is bonded in a distorted trigonal planar geometry to one C(70), one N(10), and one H(42) atom. The C(66)-C(70) bond length is 1.39 Å. The C(66)-N(10) bond length is 1.35 Å. The C(66)-H(42) bond length is 1.09 Å. In the sixty-fifth C site, C(67) is bonded in a distorted trigonal planar geometry to one C(71), one N(11), and one H(43) atom. The C(67)-C(71) bond length is 1.39 Å. The C(67)-N(11) bond length is 1.35 Å. The C(67)-H(43) bond length is 1.09 Å. In the sixty-sixth C site, C(68) is bonded in a distorted trigonal planar geometry to one C(72), one N(12), and one H(44) atom. The C(68)-C(72) bond length is 1.39 Å. The C(68)-N(12) bond length is 1.35 Å. The C(68)-H(44) bond length is 1.09 Å. In the sixty-seventh C site, C(69) is bonded in a distorted single-bond geometry to one C(53), one C(65), and one H(45) atom. The C(69)-H(45) bond length is 1.09 Å. In the sixty-eighth C site, C(70) is bonded in a distorted single-bond geometry to one C(54), one C(66), and one H(46) atom. The C(70)-H(46) bond length is 1.09 Å. In the sixty-ninth C site, C(71) is bonded in a distorted single-bond geometry to one C(55), one C(67), and one H(47) atom. The C(71)-H(47) bond length is 1.09 Å. In the seventieth C site, C(72) is bonded in a distorted single-bond geometry to one C(56), one C(68), and one H(48) atom. The C(72)-H(48) bond length is 1.09 Å. In the seventy-first C site, C(73) is bonded in a distorted single-bond geometry to one C(53) and one H(49) atom. The C(73)-H(49) bond length is 1.09 Å. In the seventy-second C site, C(74) is bonded in a distorted single-bond geometry to one C(54) and one H(50) atom. The C(74)-H(50) bond length is 1.09 Å. In the seventy-third C site, C(75) is bonded in a distorted single-bond geometry to one C(55) and one H(51,52) atom. The C(75)-H(51,52) bond length is 1.09 Å. In the seventy-fourth C site, C(76) is bonded in a distorted single-bond geometry to one C(56) and one H(51,52) atom. The C(76)-H(51,52) bond length is 1.09 Å. There are sixteen inequivalent N sites. In the first N site, N(1) is bonded in a trigonal planar geometry to one Ni(2), one C(41), and one C(57) atom. In the second N site, N(2) is bonded in a trigonal planar geometry to one Ni(1), one C(42), and one C(58) atom. In the third N site, N(3) is bonded in a trigonal planar geometry to one Ni(2), one C(43), and one C(59) atom. In the fourth N site, N(4) is bonded in a trigonal planar geometry to one Ni(1), one C(44), and one C(60) atom. In the fifth N site, N(5) is bonded in a 4-coordinate geometry to one Ni(4); one C(5); one H(5); and one H(9,11) atom. The N(5)-H(5) bond length is 1.02 Å. The N(5)-H(9,11) bond length is 1.02 Å. In the sixth N site, N(6) is bonded in a 4-coordinate geometry to one Ni(3), one C(6), one H(10), and one H(6) atom. The N(6)-H(10) bond length is 1.02 Å. The N(6)-H(6) bond length is 1.02 Å. In the seventh N site, N(7) is bonded in a 4-coordinate geometry to one Ni(6); one C(7); one H(7,8); and one H(9,11) atom. The N(7)-H(7,8) bond length is 1.02 Å. The N(7)-H(9,11) bond length is 1.02 Å. In the eighth N site, N(8) is bonded in a 4-coordinate geometry to one Ni(5); one C(8); one H(12); and one H(7,8) atom. The N(8)-H(12) bond length is 1.02 Å. The N(8)-H(7,8) bond length is 1.02 Å. In the ninth N site, N(9) is bonded in a trigonal planar geometry to one Ni(3), one C(1), and one C(65) atom. In the tenth N site, N(10) is bonded in a trigonal planar geometry to one Ni(4), one C(2), and one C(66) atom. In the eleventh N site, N(11) is bonded in a trigonal planar geometry to one Ni(5), one C(3), and one C(67) atom. In the twelfth N site, N(12) is bonded in a trigonal planar geometry to one Ni(6), one C(4), and one C(68) atom. In the thirteenth N site, N(13) is bonded in a trigonal non-coplanar geometry to one C(45), one H(53), and one H(57) atom. The N(13)-H(53) bond length is 1.03 Å. The N(13)-H(57) bond length is 1.02 Å. In the fourteenth N site, N(14) is bonded in a trigonal non-coplanar geometry to one C(46), one H(54), and one H(58) atom. The N(14)-H(54) bond length is 1.03 Å. The N(14)-H(58) bond length is 1.02 Å. In the fifteenth N site, N(15) is bonded in a trigonal non-coplanar geometry to one C(47), one H(55), and one H(59) atom. The N(15)-H(55) bond length is 1.03 Å. The N(15)-H(59) bond length is 1.02 Å. In the sixteenth N site, N(16) is bonded in a trigonal non-coplanar geometry to one C(48), one H(56), and one H(60) atom. The N(16)-H(56) bond length is 1.03 Å. The N(16)-H(60) bond length is 1.02 Å. There are fifty-two inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one C(1) atom. In the second H site, H(2) is bonded in a single-bond geometry to one C(2) atom. In the third H site, H(3) is bonded in a single-bond geometry to one C(3) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one C(4) atom. In the fifth H site, H(5) is bonded in a single-bond geometry to one N(5) atom. In the sixth H site, H(6) is bonded in a single-bond geometry to one N(6) atom. In the seventh H site, H(7,8) is bonded in a single-bond geometry to one N(7) atom. In the eighth H site, H(9,11) is bonded in a single-bond geometry to one N(5) atom. In the ninth H site, H(10) is bonded in a single-bond geometry to one N(6) atom. In the tenth H site, H(12) is bonded in a single-bond geometry to one N(8) atom. In the eleventh H site, H(13) is bonded in a single-bond geometry to one O(25) atom. The H(13)-O(25) bond length is 0.98 Å. In the twelfth H site, H(14) is bonded in a single-bond geometry to one O(26) atom. The H(14)-O(26) bond length is 0.98 Å. In the thirteenth H site, H(15) is bonded in a single-bond geometry to one O(27) atom. The H(15)-O(27) bond length is 0.98 Å. In the fourteenth H site, H(16) is bonded in a single-bond geometry to one O(28) atom. The H(16)-O(28) bond length is 0.98 Å. In the fifteenth H site, H(17) is bonded in a single-bond geometry to one O(13) and one O(25) atom. The H(17)-O(13) bond length is 1.70 Å. The H(17)-O(25) bond length is 1.01 Å. In the sixteenth H site, H(18) is bonded in a single-bond geometry to one O(14) and one O(26) atom. The H(18)-O(14) bond length is 1.67 Å. The H(18)-O(26) bond length is 1.01 Å. In the seventeenth H site, H(19) is bonded in a single-bond geometry to one O(15) and one O(27) atom. The H(19)-O(15) bond length is 1.67 Å. The H(19)-O(27) bond length is 1.01 Å. In the eighteenth H site, H(20) is bonded in a distorted single-bond geometry to one O(16) and one O(28) atom. The H(20)-O(16) bond length is 1.67 Å. The H(20)-O(28) bond length is 1.01 Å. In the nineteenth H site, H(21) is bonded in a single-bond geometry to one C(17) atom. In the twentieth H site, H(22,23) is bonded in a single-bond geometry to one C(18) atom. In the twenty-first H site, H(24) is bonded in a single-bond geometry to one C(19,20) atom. The H(24)-C(19,20) bond length is 1.09 Å. In the twenty-second H site, H(25,27) is bonded in a single-bond geometry to one C(21) atom. In the twenty-third H site, H(26) is bonded in a single-bond geometry to one C(22) atom. In the twenty-fourth H site, H(28) is bonded in a single-bond geometry to one C(23,24) atom. The H(28)-C(23,24) bond length is 1.09 Å. In the twenty-fifth H site, H(29) is bonded in a single-bond geometry to one C(41) atom. In the twenty-sixth H site, H(30) is bonded in a single-bond geometry to one C(42) atom. In the twenty-seventh H site, H(31) is bonded in a single-bond geometry to one C(43) atom. In the twenty-eighth H site, H(32) is bonded in a single-bond geometry to one C(44) atom. In the twenty-ninth H site, H(33,35) is bonded in a single-bond geometry to one C(57) atom. In the thirtieth H site, H(34) is bonded in a single-bond geometry to one C(58) atom. In the thirty-first H site, H(36) is bonded in a single-bond geometry to one C(60) atom. In the thirty-second H site, H(37,40) is bonded in a single-bond geometry to one C(61) atom. In the thirty-third H site, H(38,39) is bonded in a single-bond geometry to one C(62) atom. In the thirty-fourth H site, H(41) is bonded in a single-bond geometry to one C(65) atom. In the thirty-fifth H site, H(42) is bonded in a single-bond geometry to one C(66) atom. In the thirty-sixth H site, H(43) is bonded in a single-bond geometry to one C(67) atom. In the thirty-seventh H site, H(44) is bonded in a single-bond geometry to one C(68) atom. In the thirty-eighth H site, H(45) is bonded in a single-bond geometry to one C(69) atom. In the thirty-ninth H site, H(46) is bonded in a single-bond geometry to one C(70) atom. In the fortieth H site, H(47) is bonded in a single-bond geometry to one C(71) atom. In the forty-first H site, H(48) is bonded in a single-bond geometry to one C(72) atom. In the forty-second H site, H(49) is bonded in a single-bond geometry to one C(73) atom. In the forty-third H site, H(50) is bonded in a single-bond geometry to one C(74) atom. In the forty-fourth H site, H(51,52) is bonded in a single-bond geometry to one C(75) atom. In the forty-fifth H site, H(53) is bonded in a single-bond geometry to one N(13) atom. In the forty-sixth H site, H(54) is bonded in a single-bond geometry to one N(14) atom. In the forty-seventh H site, H(55) is bonded in a single-bond geometry to one N(15) atom. In the forty-eighth H site, H(56) is bonded in a single-bond geometry to one N(16) atom. In the forty-ninth H site, H(57) is bonded in a single-bond geometry to one N(13) atom. In the fiftieth H site, H(58) is bonded in a single-bond geometry to one N(14) atom. In the fifty-first H site, H(59) is bonded in a single-bond geometry to one N(15) atom. In the fifty-second H site, H(60) is bonded in a single-bond geometry to one N(16) atom. There are twenty-eight inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one Ni(3) and one C(37) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one Ni(4) and one C(38) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one Ni(5) and one C(39) atom. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to one Ni(6) and one C(40) atom. In the fifth O site, O(5) is bonded in an L-shaped geometry to one Ni(3) and one C(33) atom. In the sixth O site, O(6) is bonded in a distorted L-shaped geometry to one Ni(4) and one C(34) atom. In the seventh O site, O(7) is bonded in a distorted L-shaped geometry to one Ni(5) and one C(35) atom. In the eighth O site, O(8) is bonded in a distorted L-shaped geometry to one Ni(6) and one C(36) atom. In the ninth O site, O(9) is bonded in a bent 120 degrees geometry to one Ni(1) and one C(29) atom. In the tenth O site, O(10) is bonded in a bent 120 degrees geometry to one Ni(2) and one C(30) atom. In the eleventh O site, O(11) is bonded in a bent 120 degrees geometry to one Ni(1) and one C(31) atom. In the twelfth O site, O(12) is bonded in a bent 120 degrees geometry to one Ni(2) and one C(32) atom. In the thirteenth O site, O(13) is bonded in a distorted trigonal planar geometry to one Ni(1), one C(37), and one H(17) atom. In the fourteenth O site, O(14) is bonded in a distorted trigonal planar geometry to one Ni(2), one C(38), and one H(18) atom. In the fifteenth O site, O(15) is bonded in a distorted trigonal planar geometry to one Ni(1), one C(39), and one H(19) atom. In the sixteenth O site, O(16) is bonded in a distorted trigonal planar geometry to one Ni(2), one C(40), and one H(20) atom. In the seventeenth O site, O(17) is bonded in an L-shaped geometry to one Ni(3) and one C(33) atom. In the eighteenth O site, O(18) is bonded in an L-shaped geometry to one Ni(4) and one C(34) atom. In the nineteenth O site, O(19) is bonded in a distorted L-shaped geometry to one Ni(5) and one C(35) atom. In the twentieth O site, O(20) is bonded in an L-shaped geometry to one Ni(6) and one C(36) atom. In the twenty-first O site, O(21) is bonded in a single-bond geometry to one C(29) atom. In the twenty-second O site, O(22) is bonded in a single-bond geometry to one C(30) atom. In the twenty-third O site, O(23) is bonded in a single-bond geometry to one C(31) atom. In the twenty-fourth O site, O(24) is bonded in a single-bond geometry to one C(32) atom. In the twenty-fifth O site, O(25) is bonded in a water-like geometry to one Ni(3), one H(13), and one H(17) atom. In the twenty-sixth O site, O(26) is bonded in a distorted water-like geometry to one Ni(4), one H(14), and one H(18) atom. In the twenty-seventh O site, O(27) is bonded in a distorted water-like geometry to one Ni(5), one H(15), and one H(19) atom. In the twenty-eighth O site, O(28) is bonded in a distorted water-like geometry to one Ni(6), one H(16), and one H(20) atom. Linkers: 4 Nc1cnccc1-c1ccncc1 ,4 Nc1cc(C([O])=O)c(C([O])=O)c(C([O])=O)c1. Metal clusters: 2 N[Ni]1(O[C]O[Ni](O[C]O[Ni]2(N)O[C]O2)(O[C]=O)O[C]=O)O[C]O1.O.O. RCSR code: kgd. The MOF has largest included sphere 4.92 A, density 1.39 g/cm3, surface area 3749.72 m2/g, accessible volume 0.21 cm3/g