Ni3C57N3H34O13 crystallizes in the trigonal R3c space group. Ni(1) is bonded to one N(1), one O(1), one O(2), one O(3), one O(4), and one O(5) atom to form corner-sharing NiNO5 octahedra. The corner-sharing octahedral tilt angles are 60°. The Ni(1)-N(1) bond length is 1.97 Å. The Ni(1)-O(1) bond length is 1.79 Å. The Ni(1)-O(2) bond length is 1.77 Å. The Ni(1)-O(3) bond length is 1.80 Å. The Ni(1)-O(4) bond length is 1.79 Å. The Ni(1)-O(5) bond length is 1.93 Å. There are nineteen inequivalent C sites. In the first C site, C(17) is bonded in a distorted bent 120 degrees geometry to one C(16), one N(1), and one H(10) atom. The C(17)-C(16) bond length is 1.42 Å. The C(17)-N(1) bond length is 1.38 Å. The C(17)-H(10) bond length is 1.07 Å. In the second C site, C(18) is bonded in a bent 120 degrees geometry to one C(15), one O(3), and one O(4) atom. The C(18)-C(15) bond length is 1.54 Å. The C(18)-O(3) bond length is 1.28 Å. The C(18)-O(4) bond length is 1.28 Å. In the third C site, C(19) is bonded in a distorted single-bond geometry to one C(16), one C(7), and one H(11) atom. The C(19)-C(16) bond length is 1.42 Å. The C(19)-C(7) bond length is 1.42 Å. The C(19)-H(11) bond length is 1.08 Å. In the fourth C site, C(1) is bonded in a distorted single-bond geometry to one C(2), one C(5), and one H(1) atom. The C(1)-C(2) bond length is 1.43 Å. The C(1)-C(5) bond length is 1.42 Å. The C(1)-H(1) bond length is 1.08 Å. In the fifth C site, C(2) is bonded in a distorted trigonal planar geometry to one C(1), one C(6), and one H(2) atom. The C(2)-C(6) bond length is 1.42 Å. The C(2)-H(2) bond length is 1.08 Å. In the sixth C site, C(3) is bonded in a distorted single-bond geometry to one C(4), one C(6), and one H(3) atom. The C(3)-C(4) bond length is 1.41 Å. The C(3)-C(6) bond length is 1.41 Å. The C(3)-H(3) bond length is 1.08 Å. In the seventh C site, C(4) is bonded in a distorted trigonal planar geometry to one C(3), one C(5), and one H(4) atom. The C(4)-C(5) bond length is 1.41 Å. The C(4)-H(4) bond length is 1.08 Å. In the eighth C site, C(5) is bonded in a trigonal planar geometry to one C(1), one C(4), and one C(7) atom. The C(5)-C(7) bond length is 1.54 Å. In the ninth C site, C(6) is bonded in a trigonal planar geometry to one C(2), one C(3), and one C(9) atom. The C(6)-C(9) bond length is 1.54 Å. In the tenth C site, C(7) is bonded in a trigonal planar geometry to one C(19), one C(5), and one C(8) atom. The C(7)-C(8) bond length is 1.42 Å. In the eleventh C site, C(8) is bonded in a distorted bent 120 degrees geometry to one C(7), one N(1), and one H(5) atom. The C(8)-N(1) bond length is 1.38 Å. The C(8)-H(5) bond length is 1.07 Å. In the twelfth C site, C(9) is bonded in a bent 120 degrees geometry to one C(6), one O(1), and one O(2) atom. The C(9)-O(1) bond length is 1.27 Å. The C(9)-O(2) bond length is 1.27 Å. In the thirteenth C site, C(10) is bonded in a distorted single-bond geometry to one C(11), one C(14), and one H(6) atom. The C(10)-C(11) bond length is 1.43 Å. The C(10)-C(14) bond length is 1.42 Å. The C(10)-H(6) bond length is 1.08 Å. In the fourteenth C site, C(11) is bonded in a distorted trigonal planar geometry to one C(10), one C(15), and one H(7) atom. The C(11)-C(15) bond length is 1.42 Å. The C(11)-H(7) bond length is 1.08 Å. In the fifteenth C site, C(12) is bonded in a distorted single-bond geometry to one C(13), one C(15), and one H(8) atom. The C(12)-C(13) bond length is 1.41 Å. The C(12)-C(15) bond length is 1.41 Å. The C(12)-H(8) bond length is 1.08 Å. In the sixteenth C site, C(13) is bonded in a distorted trigonal planar geometry to one C(12), one C(14), and one H(9) atom. The C(13)-C(14) bond length is 1.41 Å. The C(13)-H(9) bond length is 1.08 Å. In the seventeenth C site, C(14) is bonded in a trigonal planar geometry to one C(10), one C(13), and one C(16) atom. The C(14)-C(16) bond length is 1.53 Å. In the eighteenth C site, C(15) is bonded in a trigonal planar geometry to one C(11), one C(12), and one C(18) atom. In the nineteenth C site, C(16) is bonded in a trigonal planar geometry to one C(14), one C(17), and one C(19) atom. N(1) is bonded in a trigonal planar geometry to one Ni(1), one C(17), and one C(8) atom. There are twelve 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(3) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one C(4) atom. In the fifth H site, H(5) is bonded in a single-bond geometry to one C(8) atom. In the sixth H site, H(6) is bonded in a single-bond geometry to one C(10) 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(13) atom. In the tenth H site, H(10) is bonded in a single-bond geometry to one C(17) atom. In the eleventh H site, H(11) is bonded in a single-bond geometry to one C(19) atom. In the twelfth H site, H(12) is bonded in a single-bond geometry to one O(5) atom. The H(12)-O(5) bond length is 0.98 Å. There are five inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Ni(1) and one C(9) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Ni(1) and one C(9) atom. In the third O site, O(3) is bonded in a distorted bent 150 degrees geometry to one Ni(1) and one C(18) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one Ni(1) and one C(18) atom. In the fifth O site, O(5) is bonded in a distorted single-bond geometry to three equivalent Ni(1) and one H(12) atom. Linkers: 6 [O]C(=O)c1ccc(-c2cncc(-c3ccc(C([O])=O)cc3)c2)cc1. Metal clusters: 2 O[Ni]123O[C]O[Ni]4(O[C]O[Ni](O[C]O4)(O[C]O1)O[C]O2)O[C]O3. RCSR code: pcu. The MOF has largest included sphere 8.88 A, density 0.79 g/cm3, surface area 4213.85 m2/g, accessible volume 0.86 cm3/g