Ni(C7H4O5) crystallizes in the monoclinic C2 space group. There are three inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one O(1), one O(11), one O(14), one O(3), one O(6), and one O(8) atom to form corner-sharing NiO6 octahedra. The corner-sharing octahedral tilt angles range from 53-54°. The Ni(1)-O(1) bond length is 1.99 Å. The Ni(1)-O(11) bond length is 2.01 Å. The Ni(1)-O(14) bond length is 2.30 Å. The Ni(1)-O(3) bond length is 2.01 Å. The Ni(1)-O(6) bond length is 1.99 Å. The Ni(1)-O(8) bond length is 2.28 Å. In the second Ni site, Ni(2) is bonded to one O(12), one O(15), one O(2), one O(4), one O(7), and one O(9) atom to form corner-sharing NiO6 octahedra. The corner-sharing octahedral tilt angles range from 53-54°. The Ni(2)-O(12) bond length is 2.01 Å. The Ni(2)-O(15) bond length is 2.30 Å. The Ni(2)-O(2) bond length is 1.99 Å. The Ni(2)-O(4) bond length is 2.01 Å. The Ni(2)-O(7) bond length is 1.99 Å. The Ni(2)-O(9) bond length is 2.28 Å. In the third Ni site, Ni(3) is bonded to one O(10), one O(13), one O(16), one O(2), one O(5), and one O(6) atom to form corner-sharing NiO6 octahedra. The corner-sharing octahedral tilt angles range from 53-54°. The Ni(3)-O(10) bond length is 2.28 Å. The Ni(3)-O(13) bond length is 2.01 Å. The Ni(3)-O(16) bond length is 2.29 Å. The Ni(3)-O(2) bond length is 1.99 Å. The Ni(3)-O(5) bond length is 2.01 Å. The Ni(3)-O(6) bond length is 1.99 Å. There are twenty-four inequivalent C sites. In the first C site, C(1) is bonded in a distorted single-bond geometry to one C(20), one C(22), and one O(6) atom. The C(1)-C(20) bond length is 1.41 Å. The C(1)-C(22) bond length is 1.41 Å. The C(1)-O(6) bond length is 1.33 Å. In the second C site, C(2) is bonded in a distorted single-bond geometry to two equivalent C(21) and one O(7) atom. Both C(2)-C(21) bond lengths are 1.41 Å. The C(2)-O(7) bond length is 1.33 Å. In the third C site, C(3) is bonded in a distorted bent 120 degrees geometry to one C(23), one O(11), and one O(13) atom. The C(3)-C(23) bond length is 1.49 Å. The C(3)-O(11) bond length is 1.28 Å. The C(3)-O(13) bond length is 1.28 Å. In the fourth C site, C(4) is bonded in a distorted bent 120 degrees geometry to one C(24) and two equivalent O(12) atoms. The C(4)-C(24) bond length is 1.49 Å. Both C(4)-O(12) bond lengths are 1.28 Å. In the fifth C site, C(5) is bonded in a distorted bent 120 degrees geometry to one C(9) and two equivalent O(3) atoms. The C(5)-C(9) bond length is 1.49 Å. Both C(5)-O(3) bond lengths are 1.28 Å. In the sixth C site, C(6) is bonded in a distorted bent 120 degrees geometry to one C(10), one O(4), and one O(5) atom. The C(6)-C(10) bond length is 1.49 Å. The C(6)-O(4) bond length is 1.28 Å. The C(6)-O(5) bond length is 1.28 Å. In the seventh C site, C(7) is bonded in a distorted single-bond geometry to two equivalent C(11) and one O(1) atom. Both C(7)-C(11) bond lengths are 1.41 Å. The C(7)-O(1) bond length is 1.33 Å. In the eighth C site, C(8) is bonded in a distorted single-bond geometry to one C(12), one C(13), and one O(2) atom. The C(8)-C(12) bond length is 1.41 Å. The C(8)-C(13) bond length is 1.41 Å. The C(8)-O(2) bond length is 1.33 Å. In the ninth C site, C(9) is bonded in a trigonal planar geometry to one C(5) and two equivalent C(17) atoms. Both C(9)-C(17) bond lengths are 1.41 Å. In the tenth C site, C(10) is bonded in a trigonal planar geometry to one C(18), one C(19), and one C(6) atom. The C(10)-C(18) bond length is 1.41 Å. The C(10)-C(19) bond length is 1.41 Å. In the eleventh C site, C(11) is bonded in a distorted single-bond geometry to one C(17), one C(7), and one O(8) atom. The C(11)-C(17) bond length is 1.39 Å. The C(11)-O(8) bond length is 1.39 Å. In the twelfth C site, C(12) is bonded in a distorted single-bond geometry to one C(18), one C(8), and one O(9) atom. The C(12)-C(18) bond length is 1.39 Å. The C(12)-O(9) bond length is 1.39 Å. In the thirteenth C site, C(13) is bonded in a distorted single-bond geometry to one C(19), one C(8), and one O(10) atom. The C(13)-C(19) bond length is 1.39 Å. The C(13)-O(10) bond length is 1.39 Å. In the fourteenth C site, C(14) is bonded in a distorted trigonal planar geometry to one C(20); one C(23); and one H(1,3) atom. The C(14)-C(20) bond length is 1.39 Å. The C(14)-C(23) bond length is 1.41 Å. The C(14)-H(1,3) bond length is 1.09 Å. In the fifteenth C site, C(15) is bonded in a distorted trigonal planar geometry to one C(21), one C(24), and one H(2) atom. The C(15)-C(21) bond length is 1.39 Å. The C(15)-C(24) bond length is 1.41 Å. The C(15)-H(2) bond length is 1.09 Å. In the sixteenth C site, C(16) is bonded in a distorted trigonal planar geometry to one C(22); one C(23); and one H(1,3) atom. The C(16)-C(22) bond length is 1.39 Å. The C(16)-C(23) bond length is 1.41 Å. The C(16)-H(1,3) bond length is 1.09 Å. In the seventeenth C site, C(17) is bonded in a distorted trigonal planar geometry to one C(11), one C(9), and one H(4) atom. The C(17)-H(4) bond length is 1.09 Å. In the eighteenth C site, C(18) is bonded in a distorted trigonal planar geometry to one C(10); one C(12); and one H(5,6) atom. The C(18)-H(5,6) bond length is 1.09 Å. In the nineteenth C site, C(19) is bonded in a distorted trigonal planar geometry to one C(10); one C(13); and one H(5,6) atom. The C(19)-H(5,6) bond length is 1.09 Å. In the twentieth C site, C(20) is bonded in a distorted single-bond geometry to one C(1), one C(14), and one O(14) atom. The C(20)-O(14) bond length is 1.39 Å. In the twenty-first C site, C(21) is bonded in a distorted single-bond geometry to one C(15), one C(2), and one O(15) atom. The C(21)-O(15) bond length is 1.39 Å. In the twenty-second C site, C(22) is bonded in a distorted single-bond geometry to one C(1), one C(16), and one O(16) atom. The C(22)-O(16) bond length is 1.39 Å. In the twenty-third C site, C(23) is bonded in a trigonal planar geometry to one C(14), one C(16), and one C(3) atom. In the twenty-fourth C site, C(24) is bonded in a trigonal planar geometry to one C(4) and two equivalent C(15) atoms. There are ten inequivalent H sites. In the first H site, H(1,3) is bonded in a single-bond geometry to one C(14) atom. In the second H site, H(2) is bonded in a single-bond geometry to one C(15) atom. In the third H site, H(4) is bonded in a single-bond geometry to one C(17) atom. In the fourth H site, H(5,6) is bonded in a single-bond geometry to one C(18) atom. In the fifth H site, H(7) is bonded in a single-bond geometry to one O(8) atom. The H(7)-O(8) bond length is 0.98 Å. In the sixth H site, H(8) is bonded in a single-bond geometry to one O(9) atom. The H(8)-O(9) bond length is 0.98 Å. In the seventh H site, H(9) is bonded in a single-bond geometry to one O(10) atom. The H(9)-O(10) bond length is 0.98 Å. In the eighth H site, H(10) is bonded in a single-bond geometry to one O(14) atom. The H(10)-O(14) bond length is 0.97 Å. In the ninth H site, H(11) is bonded in a single-bond geometry to one O(15) atom. The H(11)-O(15) bond length is 0.97 Å. In the tenth H site, H(12) is bonded in a single-bond geometry to one O(16) atom. The H(12)-O(16) bond length is 0.97 Å. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to two equivalent Ni(1) and one C(7) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Ni(2), one Ni(3), and one C(8) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one Ni(1) and one C(5) atom. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to one Ni(2) and one C(6) atom. In the fifth O site, O(5) is bonded in a bent 120 degrees geometry to one Ni(3) and one C(6) atom. In the sixth O site, O(6) is bonded in a trigonal planar geometry to one Ni(1), one Ni(3), and one C(1) atom. In the seventh O site, O(7) is bonded in a trigonal planar geometry to two equivalent Ni(2) and one C(2) atom. In the eighth O site, O(8) is bonded in a distorted trigonal non-coplanar geometry to one Ni(1), one C(11), and one H(7) atom. In the ninth O site, O(9) is bonded in a distorted trigonal non-coplanar geometry to one Ni(2), one C(12), and one H(8) atom. In the tenth O site, O(10) is bonded in a distorted trigonal non-coplanar geometry to one Ni(3), one C(13), and one H(9) atom. In the eleventh O site, O(11) is bonded in a bent 120 degrees geometry to one Ni(1) and one C(3) atom. In the twelfth O site, O(12) is bonded in a bent 120 degrees geometry to one Ni(2) and one C(4) atom. In the thirteenth O site, O(13) is bonded in a bent 120 degrees geometry to one Ni(3) and one C(3) atom. In the fourteenth O site, O(14) is bonded in a distorted trigonal non-coplanar geometry to one Ni(1), one C(20), and one H(10) atom. In the fifteenth O site, O(15) is bonded in a distorted trigonal non-coplanar geometry to one Ni(2), one C(21), and one H(11) atom. In the sixteenth O site, O(16) is bonded in a distorted trigonal non-coplanar geometry to one Ni(3), one C(22), and one H(12) atom. Linkers: 6 [O]C(=O)c1cc(O)c([O])c(O)c1. Metal clusters: 6 [Ni]. RCSR code: pth. The MOF has largest included sphere 3.46 A, density 1.55 g/cm3, surface area 3526.98 m2/g, accessible volume 0.23 cm3/g