NiC12N2H12O5 crystallizes in the triclinic P1 space group. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in an octahedral geometry to one N(1), one N(3), one O(1), one O(4), one O(5), and one O(9) atom. The Ni(1)-N(1) bond length is 2.06 Å. The Ni(1)-N(3) bond length is 2.05 Å. The Ni(1)-O(1) bond length is 2.08 Å. The Ni(1)-O(4) bond length is 2.06 Å. The Ni(1)-O(5) bond length is 2.15 Å. The Ni(1)-O(9) bond length is 2.14 Å. In the second Ni site, Ni(2) is bonded in an octahedral geometry to one N(2), one N(4), one O(10), one O(2), one O(3), and one O(6) atom. The Ni(2)-N(2) bond length is 2.06 Å. The Ni(2)-N(4) bond length is 2.05 Å. The Ni(2)-O(10) bond length is 2.14 Å. The Ni(2)-O(2) bond length is 2.08 Å. The Ni(2)-O(3) bond length is 2.06 Å. The Ni(2)-O(6) bond length is 2.15 Å. There are twenty-three inequivalent C sites. In the first C site, C(1) is bonded in a distorted trigonal planar geometry to one C(5), one N(1), and one H(1) atom. The C(1)-C(5) bond length is 1.39 Å. The C(1)-N(1) 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 trigonal planar geometry to one C(6), one N(2), and one H(2) atom. The C(2)-C(6) bond length is 1.39 Å. The C(2)-N(2) 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(1) and one H(3,4) atom. The C(3)-N(1) bond length is 1.34 Å. The C(3)-H(3,4) 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(2) and one H(3,4) atom. The C(4)-N(2) bond length is 1.34 Å. The C(4)-H(3,4) bond length is 1.09 Å. In the fifth C site, C(5) is bonded in a distorted single-bond geometry to one C(1), one C(9), and one H(5) atom. The C(5)-C(9) bond length is 1.40 Å. The C(5)-H(5) bond length is 1.09 Å. In the sixth C site, C(6) is bonded in a distorted single-bond geometry to one C(10), one C(2), and one H(6) atom. The C(6)-C(10) bond length is 1.40 Å. The C(6)-H(6) bond length is 1.09 Å. In the seventh C site, C(7) is bonded in a distorted single-bond geometry to one C(9) and one H(7,8) atom. The C(7)-C(9) bond length is 1.40 Å. The C(7)-H(7,8) bond length is 1.09 Å. In the eighth C site, C(8) is bonded in a distorted single-bond geometry to one C(10) and one H(7,8) atom. The C(8)-C(10) bond length is 1.40 Å. The C(8)-H(7,8) bond length is 1.09 Å. In the ninth C site, C(9) is bonded in a trigonal planar geometry to one C(11), one C(5), and one C(7) atom. The C(9)-C(11) bond length is 1.47 Å. In the tenth C site, C(10) is bonded in a trigonal planar geometry to one C(12), one C(6), and one C(8) atom. The C(10)-C(12) bond length is 1.47 Å. In the eleventh C site, C(11) is bonded in a trigonal planar geometry to one C(13), one C(15), and one C(9) atom. The C(11)-C(13) bond length is 1.40 Å. The C(11)-C(15) bond length is 1.41 Å. In the twelfth C site, C(12) is bonded in a trigonal planar geometry to one C(10), one C(14), and one C(16) atom. The C(12)-C(14) bond length is 1.40 Å. The C(12)-C(16) bond length is 1.41 Å. In the thirteenth C site, C(13) is bonded in a distorted single-bond geometry to one C(11) and one H(9,10) atom. The C(13)-H(9,10) bond length is 1.09 Å. In the fourteenth C site, C(14) is bonded in a distorted single-bond geometry to one C(12) and one H(9,10) atom. The C(14)-H(9,10) bond length is 1.09 Å. In the fifteenth C site, C(15) is bonded in a distorted single-bond geometry to one C(11) and one H(11) atom. The C(15)-H(11) bond length is 1.09 Å. In the sixteenth C site, C(16) is bonded in a distorted single-bond geometry to one C(12), one C(20), and one H(12) atom. The C(16)-C(20) bond length is 1.39 Å. The C(16)-H(12) bond length is 1.09 Å. In the seventeenth C site, C(17,18) is bonded in a distorted bent 120 degrees geometry to one N(3) and one H(13,14) atom. The C(17,18)-N(3) bond length is 1.34 Å. The C(17,18)-H(13,14) bond length is 1.09 Å. In the eighteenth C site, C(19) is bonded in a distorted trigonal planar geometry to one N(3) and one H(15) atom. The C(19)-N(3) bond length is 1.35 Å. The C(19)-H(15) bond length is 1.09 Å. In the nineteenth C site, C(20) is bonded in a distorted trigonal planar geometry to one C(16), one N(4), and one H(16) atom. The C(20)-N(4) bond length is 1.35 Å. The C(20)-H(16) bond length is 1.09 Å. In the twentieth C site, C(21) is bonded in a trigonal planar geometry to one H(17), one O(1), and one O(3) atom. The C(21)-H(17) bond length is 1.11 Å. The C(21)-O(1) bond length is 1.27 Å. The C(21)-O(3) bond length is 1.27 Å. In the twenty-first C site, C(22) is bonded in a trigonal planar geometry to one H(18), one O(2), and one O(4) atom. The C(22)-H(18) bond length is 1.11 Å. The C(22)-O(2) bond length is 1.27 Å. The C(22)-O(4) bond length is 1.27 Å. In the twenty-second C site, C(23) is bonded in a trigonal planar geometry to one H(19), one O(5), and one O(7) atom. The C(23)-H(19) bond length is 1.11 Å. The C(23)-O(5) bond length is 1.28 Å. The C(23)-O(7) bond length is 1.26 Å. In the twenty-third C site, C(24) is bonded in a trigonal planar geometry to one H(20), one O(6), and one O(8) atom. The C(24)-H(20) bond length is 1.11 Å. The C(24)-O(6) bond length is 1.28 Å. The C(24)-O(8) bond length is 1.26 Å. There are four 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(3) atom. In the second N site, N(2) is bonded in a trigonal planar geometry to one Ni(2), one C(2), and one C(4) atom. In the third N site, N(3) is bonded in a trigonal planar geometry to one Ni(1); one C(17,18); and one C(19) atom. In the fourth N site, N(4) is bonded in a trigonal planar geometry to one Ni(2); one C(17,18); and one C(20) atom. The N(4)-C(17,18) bond length is 1.34 Å. There are twenty 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(3,4) is bonded in a single-bond geometry to one C(3) atom. In the fourth H site, H(5) is bonded in a single-bond geometry to one C(5) atom. In the fifth H site, H(6) is bonded in a single-bond geometry to one C(6) atom. In the sixth H site, H(7,8) is bonded in a single-bond geometry to one C(7) atom. In the seventh H site, H(9,10) is bonded in a single-bond geometry to one C(13) atom. In the eighth H site, H(11) is bonded in a single-bond geometry to one C(15) atom. In the ninth H site, H(12) is bonded in a single-bond geometry to one C(16) atom. In the tenth H site, H(13,14) is bonded in a single-bond geometry to one C(17,18) atom. In the eleventh H site, H(15) is bonded in a single-bond geometry to one C(19) atom. In the twelfth H site, H(16) is bonded in a single-bond geometry to one C(20) atom. In the thirteenth H site, H(17) is bonded in a single-bond geometry to one C(21) atom. In the fourteenth H site, H(18) is bonded in a single-bond geometry to one C(22) 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 linear geometry to one O(7) and one O(9) atom. The H(21)-O(7) bond length is 1.59 Å. The H(21)-O(9) bond length is 1.02 Å. In the eighteenth H site, H(22) is bonded in a linear geometry to one O(10) and one O(8) atom. The H(22)-O(10) bond length is 1.02 Å. The H(22)-O(8) bond length is 1.59 Å. In the nineteenth H site, H(23) is bonded in a single-bond geometry to one O(9) atom. The H(23)-O(9) bond length is 0.98 Å. In the twentieth H site, H(24) is bonded in a single-bond geometry to one O(10) atom. The H(24)-O(10) bond length is 0.98 Å. There are ten inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one Ni(1) and one C(21) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one Ni(2) and one C(22) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one Ni(2) and one C(21) atom. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to one Ni(1) and one C(22) atom. In the fifth O site, O(5) is bonded in a bent 120 degrees geometry to one Ni(1) and one C(23) atom. In the sixth O site, O(6) is bonded in a bent 120 degrees geometry to one Ni(2) and one C(24) atom. In the seventh O site, O(7) is bonded in a bent 120 degrees geometry to one C(23) and one H(21) atom. In the eighth O site, O(8) is bonded in a bent 120 degrees geometry to one C(24) and one H(22) atom. In the ninth O site, O(9) is bonded in a distorted water-like geometry to one Ni(1), one H(21), and one H(23) atom. In the tenth O site, O(10) is bonded in a distorted water-like geometry to one Ni(2), one H(22), and one H(24) atom. Linkers: 2 [O]C=O. Metal clusters: 2 [Ni]. The MOF has largest included sphere 4.17 A, density 1.40 g/cm3, surface area 3955.95 m2/g, accessible volume 0.22 cm3/g