NiC14N2H14S2O5 is Indium-like structured and crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of one NiC14N2H14S2O5 cluster. Ni(1) is bonded in an octahedral geometry to one N(1), one N(2), one O(1), one O(2), one O(3), and one O(5) atom. The Ni(1)-N(1) bond length is 2.07 Å. The Ni(1)-N(2) bond length is 2.06 Å. The Ni(1)-O(1) bond length is 2.14 Å. The Ni(1)-O(2) bond length is 2.26 Å. The Ni(1)-O(3) bond length is 2.06 Å. The Ni(1)-O(5) bond length is 2.07 Å. There are fourteen inequivalent C sites. In the first C site, C(1) is bonded in a distorted bent 120 degrees geometry to one O(1) and one O(2) atom. The C(1)-O(1) bond length is 1.28 Å. The C(1)-O(2) bond length is 1.26 Å. In the second C site, C(2) is bonded in a distorted water-like geometry to one H(3), one H(4), and one S(1) atom. The C(2)-H(3) bond length is 1.10 Å. The C(2)-H(4) bond length is 1.10 Å. The C(2)-S(1) bond length is 1.80 Å. In the third C site, C(3) is bonded in a trigonal planar geometry to one C(4), one C(7), and one S(1) atom. The C(3)-C(4) bond length is 1.40 Å. The C(3)-C(7) bond length is 1.41 Å. The C(3)-S(1) bond length is 1.74 Å. In the fourth C site, C(4) is bonded in a distorted single-bond geometry to one C(3), one C(5), and one H(5) atom. The C(4)-C(5) bond length is 1.39 Å. The C(4)-H(5) bond length is 1.09 Å. In the fifth C site, C(5) is bonded in a distorted trigonal planar geometry to one C(4), one N(1), and one H(6) atom. The C(5)-N(1) bond length is 1.35 Å. The C(5)-H(6) bond length is 1.09 Å. In the sixth C site, C(6) is bonded in a distorted trigonal planar geometry to one C(7), one N(1), and one H(7) atom. The C(6)-C(7) bond length is 1.38 Å. The C(6)-N(1) bond length is 1.35 Å. The C(6)-H(7) bond length is 1.09 Å. In the seventh C site, C(7) is bonded in a distorted single-bond geometry to one C(3), one C(6), and one H(8) atom. The C(7)-H(8) bond length is 1.09 Å. In the eighth C site, C(8) is bonded in a distorted bent 120 degrees geometry to one O(3) and one O(4) atom. The C(8)-O(3) bond length is 1.28 Å. The C(8)-O(4) bond length is 1.26 Å. In the ninth C site, C(9) is bonded in a distorted water-like geometry to one H(10), one H(9), and one S(2) atom. The C(9)-H(10) bond length is 1.10 Å. The C(9)-H(9) bond length is 1.09 Å. The C(9)-S(2) bond length is 1.79 Å. In the tenth C site, C(10) is bonded in a trigonal planar geometry to one C(11), one C(14), and one S(2) atom. The C(10)-C(11) bond length is 1.40 Å. The C(10)-C(14) bond length is 1.41 Å. The C(10)-S(2) bond length is 1.74 Å. In the eleventh C site, C(11) is bonded in a distorted trigonal planar geometry to one C(10), one C(12), and one H(11) atom. The C(11)-C(12) bond length is 1.38 Å. The C(11)-H(11) bond length is 1.09 Å. In the twelfth C site, C(12) is bonded in a distorted trigonal planar geometry to one C(11), one N(2), and one H(12) atom. The C(12)-N(2) bond length is 1.35 Å. The C(12)-H(12) bond length is 1.09 Å. In the thirteenth C site, C(13) is bonded in a distorted bent 120 degrees geometry to one C(14), one N(2), and one H(13) atom. The C(13)-C(14) bond length is 1.39 Å. The C(13)-N(2) bond length is 1.35 Å. The C(13)-H(13) bond length is 1.09 Å. In the fourteenth C site, C(14) is bonded in a distorted single-bond geometry to one C(10), one C(13), and one H(14) atom. The C(14)-H(14) bond length is 1.09 Å. There are two inequivalent N sites. In the first N site, N(1) is bonded in a trigonal planar geometry to one Ni(1), one C(5), and one C(6) atom. In the second N site, N(2) is bonded in a trigonal planar geometry to one Ni(1), one C(12), and one C(13) atom. There are fourteen inequivalent H sites. In the first H site, H(1) is bonded in a distorted single-bond geometry to one O(4) and one O(5) atom. The H(1)-O(4) bond length is 1.63 Å. The H(1)-O(5) bond length is 1.01 Å. In the second H site, H(2) is bonded in a single-bond geometry to one O(1) and one O(5) atom. The H(2)-O(1) bond length is 1.70 Å. The H(2)-O(5) bond length is 1.00 Å. In the third H site, H(3) is bonded in a single-bond geometry to one C(2) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one C(2) atom. In the fifth H site, H(5) is bonded in a single-bond geometry to one C(4) atom. In the sixth H site, H(6) is bonded in a single-bond geometry to one C(5) atom. In the seventh H site, H(7) is bonded in a single-bond geometry to one C(6) atom. In the eighth H site, H(8) is bonded in a single-bond geometry to one C(7) atom. In the ninth H site, H(9) is bonded in a single-bond geometry to one C(9) atom. In the tenth H site, H(10) is bonded in a single-bond geometry to one C(9) atom. In the eleventh H site, H(11) is bonded in a single-bond geometry to one C(11) atom. In the twelfth H site, H(12) is bonded in a single-bond geometry to one C(12) atom. In the thirteenth H site, H(13) is bonded in a single-bond geometry to one C(13) atom. In the fourteenth H site, H(14) is bonded in a single-bond geometry to one C(14) atom. There are two inequivalent S sites. In the first S site, S(1) is bonded in a water-like geometry to one C(2) and one C(3) atom. In the second S site, S(2) is bonded in a water-like geometry to one C(10) and one C(9) atom. There are five inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Ni(1), one C(1), and one H(2) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to one Ni(1) and one C(1) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one Ni(1) and one C(8) atom. In the fourth O site, O(4) is bonded in a water-like geometry to one C(8) and one H(1) atom. In the fifth O site, O(5) is bonded in a distorted water-like geometry to one Ni(1), one H(1), and one H(2) atom. Linkers: 4 [O]C(=O)CSc1ccncc1. Metal clusters: 2 O.O=[C]O[Ni]1O[C]O1. The MOF has largest included sphere 1.90 A, density 1.75 g/cm3, surface area 4024.42 m2/g, accessible volume 0.08 cm3/g