NiC17N3H10O4 is Indium-like structured and crystallizes in the monoclinic C2/m space group. The structure is zero-dimensional and consists of four NiC17N3H10O4 clusters. Ni(1) is bonded in an octahedral geometry to one N(1), one N(3), one O(1), one O(2), one O(3), and one O(4) atom. The Ni(1)-N(1) bond length is 2.03 Å. The Ni(1)-N(3) bond length is 2.06 Å. The Ni(1)-O(1) bond length is 2.11 Å. The Ni(1)-O(2) bond length is 2.15 Å. The Ni(1)-O(3) bond length is 2.08 Å. The Ni(1)-O(4) bond length is 2.06 Å. There are eighteen 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 0.93 Å. In the second C site, C(2) is bonded in a distorted single-bond geometry to one C(3) and one H(2) atom. The C(2)-C(3) bond length is 1.40 Å. The C(2)-H(2) bond length is 0.93 Å. In the third C site, C(3) is bonded in a trigonal planar geometry to one C(2), one C(4), and one C(6) atom. The C(3)-C(4) bond length is 1.38 Å. The C(3)-C(6) bond length is 1.48 Å. In the fourth C site, C(4) is bonded in a distorted single-bond geometry to one C(3) and one H(3) atom. The C(4)-H(3) bond length is 0.93 Å. In the fifth C site, C(5) is bonded in a distorted bent 120 degrees geometry to one N(1) and one H(4) atom. The C(5)-N(1) bond length is 1.34 Å. The C(5)-H(4) bond length is 0.93 Å. In the sixth C site, C(6) is bonded in a distorted single-bond geometry to one C(3) and one N(2) atom. The C(6)-N(2) bond length is 1.33 Å. In the seventh C site, C(7) is bonded in a distorted single-bond geometry to one C(8) and one H(5) atom. The C(7)-C(8) bond length is 1.38 Å. The C(7)-H(5) bond length is 0.93 Å. In the eighth C site, C(8) is bonded in a trigonal planar geometry to one C(16), one C(7), and one C(9) atom. The C(8)-C(16) bond length is 1.51 Å. The C(8)-C(9) bond length is 1.39 Å. In the ninth C site, C(9) is bonded in a distorted single-bond geometry to one C(10), one C(8), and one H(6) atom. The C(9)-C(10) bond length is 1.40 Å. The C(9)-H(6) bond length is 0.93 Å. In the tenth C site, C(11) is bonded in a distorted bent 120 degrees geometry to one N(3) and one H(7) atom. The C(11)-N(3) bond length is 1.34 Å. The C(11)-H(7) bond length is 0.93 Å. In the eleventh C site, C(10) is bonded in a trigonal planar geometry to one C(13), one C(9), and one N(2) atom. The C(10)-C(13) bond length is 1.48 Å. The C(10)-N(2) bond length is 1.34 Å. In the twelfth C site, C(13) is bonded in a trigonal planar geometry to one C(10), one C(12), and one C(14) atom. The C(13)-C(12) bond length is 1.38 Å. The C(13)-C(14) bond length is 1.41 Å. In the thirteenth C site, C(15) is bonded in a distorted bent 120 degrees geometry to one N(3) and one H(10) atom. The C(15)-N(3) bond length is 1.33 Å. The C(15)-H(10) bond length is 0.93 Å. In the fourteenth C site, C(16) is bonded in a bent 120 degrees geometry to one C(8), one O(1), and one O(2) atom. The C(16)-O(1) bond length is 1.27 Å. The C(16)-O(2) bond length is 1.25 Å. In the fifteenth C site, C(12) is bonded in a distorted single-bond geometry to one C(13) and one H(8) atom. The C(12)-H(8) bond length is 0.93 Å. In the sixteenth C site, C(14) is bonded in a distorted single-bond geometry to one C(13) and one H(9) atom. The C(14)-H(9) bond length is 0.93 Å. In the seventeenth C site, C(18) is bonded in a distorted bent 120 degrees geometry to two equivalent O(4) atoms. Both C(18)-O(4) bond lengths are 1.25 Å. In the eighteenth C site, C(17) is bonded in a distorted bent 120 degrees geometry to two equivalent O(3) atoms. Both C(17)-O(3) bond lengths are 1.25 Å. There are three inequivalent N sites. In the first 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 second N site, N(2) is bonded in a bent 120 degrees geometry to one C(10) and one C(6) atom. In the third N site, N(3) is bonded in a trigonal planar geometry to one Ni(1), one C(11), and one C(15) atom. There are ten 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(4) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one C(5) atom. In the fifth H site, H(5) is bonded in a single-bond geometry to one C(7) atom. In the sixth H site, H(6) is bonded in a single-bond geometry to one C(9) atom. In the seventh H site, H(7) is bonded in a single-bond geometry to one C(11) atom. In the eighth H site, H(8) is bonded in a single-bond geometry to one C(12) atom. In the ninth H site, H(9) is bonded in a single-bond geometry to one C(14) atom. In the tenth H site, H(10) is bonded in a single-bond geometry to one C(15) atom. There are four inequivalent O sites. In the first O site, O(1) is bonded in an L-shaped geometry to one Ni(1) and one C(16) atom. In the second O site, O(2) is bonded in an L-shaped geometry to one Ni(1) and one C(16) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one Ni(1) and one C(17) atom. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to one Ni(1) and one C(18) atom. Linkers: 8 [O]C(=O)c1cc(-c2ccncc2)nc(-c2ccncc2)c1 ,4 [O]C(=O)C([O])=O. Metal clusters: 4 [C]1O[Ni]2(O1)OC1=C(O2)O[Ni]2(O[C]O2)O1. The MOF has largest included sphere 7.19 A, density 1.11 g/cm3, surface area 4400.20 m2/g, accessible volume 0.42 cm3/g