NiC4H6O7 crystallizes in the orthorhombic P2_12_12_1 space group. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in an octahedral geometry to one O(10), one O(12), one O(13), one O(2), one O(4), and one O(6) atom. The Ni(1)-O(10) bond length is 2.21 Å. The Ni(1)-O(12) bond length is 2.05 Å. The Ni(1)-O(13) bond length is 2.05 Å. The Ni(1)-O(2) bond length is 2.00 Å. The Ni(1)-O(4) bond length is 2.15 Å. The Ni(1)-O(6) bond length is 2.07 Å. In the second Ni site, Ni(2) is bonded in an octahedral geometry to one O(1), one O(14), one O(3), one O(5), one O(8), and one O(9) atom. The Ni(2)-O(1) bond length is 2.10 Å. The Ni(2)-O(14) bond length is 2.10 Å. The Ni(2)-O(3) bond length is 2.12 Å. The Ni(2)-O(5) bond length is 2.06 Å. The Ni(2)-O(8) bond length is 2.01 Å. The Ni(2)-O(9) bond length is 2.18 Å. There are eight 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(9) and one O(3) atom. The C(2)-H(9) bond length is 1.10 Å. The C(2)-O(3) bond length is 1.44 Å. In the third C site, C(3) is bonded in a distorted water-like geometry to one H(10) and one O(4) atom. The C(3)-H(10) bond length is 1.10 Å. The C(3)-O(4) bond length is 1.44 Å. In the fourth C site, C(4) is bonded in a distorted bent 120 degrees geometry to one O(5) and one O(6) atom. The C(4)-O(5) bond length is 1.26 Å. The C(4)-O(6) bond length is 1.28 Å. In the fifth C site, C(5) is bonded in a distorted bent 120 degrees geometry to one O(7) and one O(8) atom. The C(5)-O(7) bond length is 1.27 Å. The C(5)-O(8) bond length is 1.26 Å. In the sixth C site, C(6) is bonded in a distorted water-like geometry to one H(11) and one O(9) atom. The C(6)-H(11) bond length is 1.10 Å. The C(6)-O(9) bond length is 1.44 Å. In the seventh C site, C(7) is bonded in a distorted water-like geometry to one H(12) and one O(10) atom. The C(7)-H(12) bond length is 1.10 Å. The C(7)-O(10) bond length is 1.44 Å. In the eighth C site, C(8) is bonded in a distorted bent 120 degrees geometry to one O(11) and one O(12) atom. The C(8)-O(11) bond length is 1.28 Å. The C(8)-O(12) bond length is 1.27 Å. There are twelve inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(3) atom. The H(1)-O(3) bond length is 1.00 Å. In the second H site, H(2) is bonded in a single-bond geometry to one O(4) atom. The H(2)-O(4) bond length is 0.99 Å. In the third H site, H(3) is bonded in a single-bond geometry to one O(9) atom. The H(3)-O(9) bond length is 0.98 Å. In the fourth H site, H(4) is bonded in a single-bond geometry to one O(10) atom. The H(4)-O(10) bond length is 1.00 Å. In the fifth H site, H(5) is bonded in a distorted single-bond geometry to one O(11) and one O(13) atom. The H(5)-O(11) bond length is 1.65 Å. The H(5)-O(13) bond length is 1.00 Å. In the sixth H site, H(6) is bonded in a single-bond geometry to one O(13) and one O(7) atom. The H(6)-O(13) bond length is 0.99 Å. The H(6)-O(7) bond length is 1.70 Å. In the seventh H site, H(7) is bonded in a single-bond geometry to one O(14) atom. The H(7)-O(14) bond length is 0.98 Å. In the eighth H site, H(8) is bonded in a linear geometry to one O(14) and one O(7) atom. The H(8)-O(14) bond length is 1.01 Å. The H(8)-O(7) bond length is 1.59 Å. In the ninth H site, H(9) is bonded in a single-bond geometry to one C(2) atom. In the tenth H site, H(10) is bonded in a single-bond geometry to one C(3) atom. In the eleventh H site, H(11) is bonded in a single-bond geometry to one C(6) atom. In the twelfth H site, H(12) is bonded in a single-bond geometry to one C(7) atom. There are fourteen inequivalent O sites. In the first O site, O(11) is bonded in a 2-coordinate geometry to one C(8) and one H(5) atom. In the second O site, O(12) is bonded in a bent 120 degrees geometry to one Ni(1) and one C(8) atom. In the third O site, O(13) is bonded in a distorted trigonal non-coplanar geometry to one Ni(1), one H(5), and one H(6) atom. In the fourth O site, O(14) is bonded in a distorted water-like geometry to one Ni(2), one H(7), and one H(8) atom. In the fifth O site, O(1) is bonded in a bent 120 degrees geometry to one Ni(2) and one C(1) atom. In the sixth O site, O(2) is bonded in a bent 150 degrees geometry to one Ni(1) and one C(1) atom. In the seventh O site, O(3) is bonded in a distorted trigonal non-coplanar geometry to one Ni(2), one C(2), and one H(1) atom. In the eighth O site, O(4) is bonded in a distorted trigonal non-coplanar geometry to one Ni(1), one C(3), and one H(2) atom. In the ninth O site, O(5) is bonded in a bent 120 degrees geometry to one Ni(2) and one C(4) atom. In the tenth O site, O(6) is bonded in a distorted bent 120 degrees geometry to one Ni(1) and one C(4) atom. In the eleventh O site, O(7) is bonded in a 3-coordinate geometry to one C(5), one H(6), and one H(8) atom. In the twelfth O site, O(8) is bonded in a bent 120 degrees geometry to one Ni(2) and one C(5) atom. In the thirteenth O site, O(9) is bonded in a distorted trigonal non-coplanar geometry to one Ni(2), one C(6), and one H(3) atom. In the fourteenth O site, O(10) is bonded in a distorted trigonal non-coplanar geometry to one Ni(1), one C(7), and one H(4) atom. Linkers: 8 [O]C(=O)[C@H](O)[C@@H](O)C([O])=O. Metal clusters: 8 [Ni]. The MOF has largest included sphere 3.19 A, density 1.98 g/cm3, surface area 3114.99 m2/g, accessible volume 0.12 cm3/g