NiC15N7H12O3(CH)3 is Indium-derived structured and crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of twenty-four 02329_fluka molecules and two NiC15N7H12O3 clusters. In each NiC15N7H12O3 cluster, there are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a square pyramidal geometry to one N(1), one N(5), one N(9), one O(1), and one O(2) atom. The Ni(1)-N(1) bond length is 2.06 Å. The Ni(1)-N(5) bond length is 2.10 Å. The Ni(1)-N(9) bond length is 2.11 Å. The Ni(1)-O(1) bond length is 2.14 Å. The Ni(1)-O(2) bond length is 2.09 Å. In the second Ni site, Ni(2) is bonded in a square pyramidal geometry to one N(12), one N(4), one N(7), one O(4), and one O(5) atom. The Ni(2)-N(12) bond length is 2.11 Å. The Ni(2)-N(4) bond length is 2.05 Å. The Ni(2)-N(7) bond length is 2.14 Å. The Ni(2)-O(4) bond length is 2.10 Å. The Ni(2)-O(5) bond length is 2.15 Å. There are thirty inequivalent C sites. In the first C site, C(1) is bonded in a distorted bent 120 degrees geometry to one N(1) and one H(1) atom. The C(1)-N(1) bond length is 1.34 Å. The C(1)-H(1) bond length is 0.95 Å. In the second C site, C(3) is bonded in a distorted single-bond geometry to one C(4) and one H(3) atom. The C(3)-C(4) bond length is 1.38 Å. The C(3)-H(3) bond length is 0.95 Å. In the third C site, C(4) is bonded in a trigonal planar geometry to one C(3), one C(5), and one C(6) atom. The C(4)-C(5) bond length is 1.37 Å. The C(4)-C(6) bond length is 1.47 Å. In the fourth C site, C(5) is bonded in a distorted bent 120 degrees geometry to one C(4), one N(1), and one H(4) atom. The C(5)-N(1) bond length is 1.35 Å. The C(5)-H(4) bond length is 0.95 Å. In the fifth C site, C(6) is bonded in a distorted bent 120 degrees geometry to one C(4), one N(2), and one H(5) atom. The C(6)-N(2) bond length is 1.27 Å. The C(6)-H(5) bond length is 0.95 Å. In the sixth C site, C(7) is bonded in a distorted bent 120 degrees geometry to one C(11), one N(3), and one H(6) atom. The C(7)-C(11) bond length is 1.48 Å. The C(7)-N(3) bond length is 1.27 Å. The C(7)-H(6) bond length is 0.95 Å. In the seventh C site, C(8) is bonded in a distorted bent 120 degrees geometry to one N(4) and one H(7) atom. The C(8)-N(4) bond length is 1.34 Å. The C(8)-H(7) bond length is 0.95 Å. In the eighth C site, C(10) is bonded in a distorted single-bond geometry to one C(11) and one H(9) atom. The C(10)-C(11) bond length is 1.39 Å. The C(10)-H(9) bond length is 0.95 Å. In the ninth C site, C(11) is bonded in a trigonal planar geometry to one C(10), one C(12), and one C(7) atom. The C(11)-C(12) bond length is 1.37 Å. In the tenth C site, C(16) is bonded in a trigonal planar geometry to one C(15), one C(17), and one C(18) atom. The C(16)-C(15) bond length is 1.38 Å. The C(16)-C(17) bond length is 1.40 Å. The C(16)-C(18) bond length is 1.47 Å. In the eleventh C site, C(21) is bonded in a distorted single-bond geometry to one C(22) and one H(18) atom. The C(21)-C(22) bond length is 1.40 Å. The C(21)-H(18) bond length is 0.95 Å. In the twelfth C site, C(27) is bonded in a distorted single-bond geometry to one C(28) and one H(23) atom. The C(27)-C(28) bond length is 1.39 Å. The C(27)-H(23) bond length is 0.95 Å. In the thirteenth C site, C(30) is bonded in a distorted bent 120 degrees geometry to one C(28), one N(10), and one H(25) atom. The C(30)-C(28) bond length is 1.47 Å. The C(30)-N(10) bond length is 1.26 Å. The C(30)-H(25) bond length is 0.95 Å. In the fourteenth C site, C(31) is bonded in a distorted bent 120 degrees geometry to one C(35), one N(11), and one H(26) atom. The C(31)-C(35) bond length is 1.46 Å. The C(31)-N(11) bond length is 1.25 Å. The C(31)-H(26) bond length is 0.95 Å. In the fifteenth C site, C(32) is bonded in a distorted bent 120 degrees geometry to one N(12) and one H(27) atom. The C(32)-N(12) bond length is 1.34 Å. The C(32)-H(27) bond length is 0.95 Å. In the sixteenth C site, C(34) is bonded in a distorted single-bond geometry to one C(35) and one H(29) atom. The C(34)-C(35) bond length is 1.39 Å. The C(34)-H(29) bond length is 0.95 Å. In the seventeenth C site, C(35) is bonded in a trigonal planar geometry to one C(31), one C(34), and one C(36) atom. The C(35)-C(36) bond length is 1.40 Å. In the eighteenth C site, C(36) is bonded in a distorted bent 120 degrees geometry to one C(35), one N(12), and one H(30) atom. The C(36)-N(12) bond length is 1.33 Å. The C(36)-H(30) bond length is 0.95 Å. In the nineteenth C site, C(12) is bonded in a distorted bent 120 degrees geometry to one C(11), one N(4), and one H(10) atom. The C(12)-N(4) bond length is 1.35 Å. The C(12)-H(10) bond length is 0.95 Å. In the twentieth C site, C(28) is bonded in a trigonal planar geometry to one C(27), one C(29), and one C(30) atom. The C(28)-C(29) bond length is 1.39 Å. In the twenty-first C site, C(13) is bonded in a distorted bent 120 degrees geometry to one N(5) and one H(11) atom. The C(13)-N(5) bond length is 1.34 Å. The C(13)-H(11) bond length is 0.95 Å. In the twenty-second C site, C(15) is bonded in a distorted single-bond geometry to one C(16) and one H(13) atom. The C(15)-H(13) bond length is 0.95 Å. In the twenty-third C site, C(17) is bonded in a distorted bent 120 degrees geometry to one C(16), one N(5), and one H(14) atom. The C(17)-N(5) bond length is 1.33 Å. The C(17)-H(14) bond length is 0.95 Å. In the twenty-fourth C site, C(29) is bonded in a distorted bent 120 degrees geometry to one C(28), one N(9), and one H(24) atom. The C(29)-N(9) bond length is 1.34 Å. The C(29)-H(24) bond length is 0.95 Å. In the twenty-fifth C site, C(18) is bonded in a distorted bent 120 degrees geometry to one C(16), one N(6), and one H(15) atom. The C(18)-N(6) bond length is 1.25 Å. The C(18)-H(15) bond length is 0.95 Å. In the twenty-sixth C site, C(19) is bonded in a distorted bent 120 degrees geometry to one N(7) and one H(16) atom. The C(19)-N(7) bond length is 1.32 Å. The C(19)-H(16) bond length is 0.95 Å. In the twenty-seventh C site, C(22) is bonded in a trigonal planar geometry to one C(21), one C(23), and one C(24) atom. The C(22)-C(23) bond length is 1.41 Å. The C(22)-C(24) bond length is 1.48 Å. In the twenty-eighth C site, C(23) is bonded in a distorted bent 120 degrees geometry to one C(22), one N(7), and one H(19) atom. The C(23)-N(7) bond length is 1.34 Å. The C(23)-H(19) bond length is 0.95 Å. In the twenty-ninth C site, C(24) is bonded in a distorted bent 120 degrees geometry to one C(22), one N(8), and one H(20) atom. The C(24)-N(8) bond length is 1.25 Å. The C(24)-H(20) bond length is 0.95 Å. In the thirtieth C site, C(25) is bonded in a distorted bent 120 degrees geometry to one N(9) and one H(21) atom. The C(25)-N(9) bond length is 1.33 Å. The C(25)-H(21) bond length is 0.95 Å. There are fourteen inequivalent N sites. In the first N site, N(11) is bonded in a distorted single-bond geometry to one C(31) atom. In the second N site, N(9) is bonded in a trigonal planar geometry to one Ni(1), one C(25), and one C(29) atom. In the third N site, N(10) is bonded in a distorted single-bond geometry to one C(30) atom. In the fourth N site, N(14) is bonded in a trigonal planar geometry to one O(4), one O(5), and one O(6) atom. The N(14)-O(4) bond length is 1.27 Å. The N(14)-O(5) bond length is 1.27 Å. The N(14)-O(6) bond length is 1.23 Å. In the fifth N site, N(12) is bonded in a trigonal planar geometry to one Ni(2), one C(32), and one C(36) atom. In the sixth N site, N(1) is bonded in a trigonal planar geometry to one Ni(1), one C(1), and one C(5) atom. In the seventh N site, N(2) is bonded in a distorted water-like geometry to one C(6) and one N(3) atom. The N(2)-N(3) bond length is 1.40 Å. In the eighth N site, N(3) is bonded in a distorted water-like geometry to one C(7) and one N(2) atom. In the ninth N site, N(4) is bonded in a trigonal planar geometry to one Ni(2), one C(12), and one C(8) atom. In the tenth N site, N(13) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(3) atom. The N(13)-O(1) bond length is 1.28 Å. The N(13)-O(2) bond length is 1.27 Å. The N(13)-O(3) bond length is 1.22 Å. In the eleventh N site, N(5) is bonded in a trigonal planar geometry to one Ni(1), one C(13), and one C(17) atom. In the twelfth N site, N(6) is bonded in a distorted single-bond geometry to one C(18) atom. In the thirteenth N site, N(7) is bonded in a trigonal planar geometry to one Ni(2), one C(19), and one C(23) atom. In the fourteenth N site, N(8) is bonded in a distorted single-bond geometry to one C(24) and one N(8) atom. The N(8)-N(8) bond length is 1.40 Å. There are twenty-four 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(3) is bonded in a single-bond geometry to one C(3) atom. In the third H site, H(4) is bonded in a single-bond geometry to one C(5) atom. In the fourth H site, H(5) is bonded in a single-bond geometry to one C(6) atom. In the fifth H site, H(6) is bonded in a single-bond geometry to one C(7) atom. In the sixth H site, H(7) is bonded in a single-bond geometry to one C(8) atom. In the seventh H site, H(9) is bonded in a single-bond geometry to one C(10) atom. In the eighth H site, H(10) is bonded in a single-bond geometry to one C(12) atom. In the ninth H site, H(11) is bonded in a single-bond geometry to one C(13) atom. In the tenth H site, H(13) is bonded in a single-bond geometry to one C(15) atom. In the eleventh H site, H(14) is bonded in a single-bond geometry to one C(17) atom. In the twelfth H site, H(15) is bonded in a single-bond geometry to one C(18) atom. In the thirteenth H site, H(16) is bonded in a single-bond geometry to one C(19) atom. In the fourteenth H site, H(18) is bonded in a single-bond geometry to one C(21) atom. In the fifteenth H site, H(19) is bonded in a single-bond geometry to one C(23) atom. In the sixteenth H site, H(20) is bonded in a single-bond geometry to one C(24) atom. In the seventeenth H site, H(21) is bonded in a single-bond geometry to one C(25) atom. In the eighteenth H site, H(23) is bonded in a single-bond geometry to one C(27) atom. In the nineteenth H site, H(24) is bonded in a single-bond geometry to one C(29) atom. In the twentieth H site, H(25) is bonded in a single-bond geometry to one C(30) atom. In the twenty-first H site, H(26) is bonded in a single-bond geometry to one C(31) atom. In the twenty-second H site, H(27) is bonded in a single-bond geometry to one C(32) atom. In the twenty-third H site, H(29) is bonded in a single-bond geometry to one C(34) atom. In the twenty-fourth H site, H(30) is bonded in a single-bond geometry to one C(36) atom. There are six inequivalent O sites. In the first O site, O(1) is bonded in an L-shaped geometry to one Ni(1) and one N(13) atom. In the second O site, O(2) is bonded in an L-shaped geometry to one Ni(1) and one N(13) atom. In the third O site, O(3) is bonded in a single-bond geometry to one N(13) atom. In the fourth O site, O(4) is bonded in an L-shaped geometry to one Ni(2) and one N(14) atom. In the fifth O site, O(5) is bonded in an L-shaped geometry to one Ni(2) and one N(14) atom. In the sixth O site, O(6) is bonded in a single-bond geometry to one N(14) atom. Linkers: 13 [CH]([N][N][CH]c1cccnc1)c1cccnc1. Metal clusters: 8 [O]N1O[Ni]O1. The MOF has largest included sphere 5.00 A, density 1.21 g/cm3, surface area 4883.70 m2/g, accessible volume 0.27 cm3/g