Ni4C37N5H27O14 crystallizes in the monoclinic P2_1/c space group. There are four inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one N(2), one N(3), one O(1), one O(11), one O(13), and one O(3) atom to form a mixture of edge and corner-sharing NiN2O4 octahedra. The corner-sharing octahedral tilt angles are 51°. The Ni(1)-N(2) bond length is 2.09 Å. The Ni(1)-N(3) bond length is 2.08 Å. The Ni(1)-O(1) bond length is 2.04 Å. The Ni(1)-O(11) bond length is 2.06 Å. The Ni(1)-O(13) bond length is 2.19 Å. The Ni(1)-O(3) bond length is 2.03 Å. In the second Ni site, Ni(2) is bonded to one N(4), one O(1), one O(13), one O(2), one O(4), and one O(7) atom to form NiNO5 octahedra that share  a cornercorner with one Ni(4)NO5 octahedra,  an edgeedge with one Ni(1)N2O4 octahedra, and  an edgeedge with one Ni(3)NO5 octahedra. The corner-sharing octahedral tilt angles are 52°. The Ni(2)-N(4) bond length is 2.04 Å. The Ni(2)-O(1) bond length is 2.08 Å. The Ni(2)-O(13) bond length is 2.08 Å. The Ni(2)-O(2) bond length is 2.03 Å. The Ni(2)-O(4) bond length is 2.10 Å. The Ni(2)-O(7) bond length is 2.06 Å. In the third Ni site, Ni(3) is bonded to one N(1), one O(1), one O(12), one O(2), one O(8), and one O(9) atom to form NiNO5 octahedra that share  a cornercorner with one Ni(1)N2O4 octahedra,  an edgeedge with one Ni(2)NO5 octahedra, and  an edgeedge with one Ni(4)NO5 octahedra. The corner-sharing octahedral tilt angles are 51°. The Ni(3)-N(1) bond length is 2.03 Å. The Ni(3)-O(1) bond length is 2.06 Å. The Ni(3)-O(12) bond length is 2.12 Å. The Ni(3)-O(2) bond length is 2.05 Å. The Ni(3)-O(8) bond length is 2.06 Å. The Ni(3)-O(9) bond length is 2.05 Å. In the fourth Ni site, Ni(4) is bonded to one N(5), one O(10), one O(12), one O(14), one O(2), and one O(6) atom to form a mixture of edge and corner-sharing NiNO5 octahedra. The corner-sharing octahedral tilt angles are 52°. The Ni(4)-N(5) bond length is 2.08 Å. The Ni(4)-O(10) bond length is 2.05 Å. The Ni(4)-O(12) bond length is 2.26 Å. The Ni(4)-O(14) bond length is 2.02 Å. The Ni(4)-O(2) bond length is 2.01 Å. The Ni(4)-O(6) bond length is 2.03 Å. There are thirty-seven inequivalent C sites. In the first C site, C(1) is bonded in a trigonal planar geometry to one C(2), one C(37), and one C(6) atom. The C(1)-C(2) bond length is 1.40 Å. The C(1)-C(37) bond length is 1.49 Å. The C(1)-C(6) bond length is 1.40 Å. In the second C site, C(2) is bonded in a distorted trigonal planar geometry to one C(1), one C(3), and one H(1) atom. The C(2)-C(3) bond length is 1.39 Å. The C(2)-H(1) bond length is 1.09 Å. In the third C site, C(3) is bonded in a distorted trigonal planar geometry to one C(2), one C(4), and one H(2) atom. The C(3)-C(4) bond length is 1.40 Å. The C(3)-H(2) bond length is 1.09 Å. In the fourth C site, C(4) is bonded in a distorted trigonal planar geometry to one C(3), one C(5), and one H(3) atom. The C(4)-C(5) bond length is 1.40 Å. The C(4)-H(3) bond length is 1.09 Å. In the fifth C site, C(5) is bonded in a distorted single-bond geometry to one C(4) and one H(4) atom. The C(5)-H(4) bond length is 1.09 Å. In the sixth C site, C(6) is bonded in a distorted single-bond geometry to one C(1) and one H(5) atom. The C(6)-H(5) bond length is 1.09 Å. In the seventh C site, C(7) is bonded in a distorted bent 120 degrees geometry to one C(8), one O(3), and one O(4) atom. The C(7)-C(8) bond length is 1.50 Å. The C(7)-O(3) bond length is 1.27 Å. The C(7)-O(4) bond length is 1.26 Å. In the eighth C site, C(8) is bonded in a trigonal planar geometry to one C(12), one C(7), and one C(9) atom. The C(8)-C(12) bond length is 1.40 Å. The C(8)-C(9) bond length is 1.40 Å. In the ninth C site, C(9) is bonded in a distorted trigonal planar geometry to one C(10), one C(8), and one H(6) atom. The C(9)-C(10) bond length is 1.39 Å. The C(9)-H(6) bond length is 1.09 Å. In the tenth C site, C(10) is bonded in a distorted bent 120 degrees geometry to one C(9), one N(1), and one H(7) atom. The C(10)-N(1) bond length is 1.35 Å. The C(10)-H(7) bond length is 1.09 Å. In the eleventh C site, C(11) is bonded in a distorted bent 120 degrees geometry to one N(1) and one H(8) atom. The C(11)-N(1) bond length is 1.35 Å. The C(11)-H(8) bond length is 1.09 Å. In the twelfth C site, C(12) is bonded in a distorted single-bond geometry to one C(8) and one H(9) atom. The C(12)-H(9) 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 O(5), and one O(6) atom. The C(13)-C(14) bond length is 1.52 Å. The C(13)-O(5) bond length is 1.26 Å. The C(13)-O(6) bond length is 1.29 Å. In the fourteenth C site, C(14) is bonded in a trigonal planar geometry to one C(13), one C(15), and one C(18) atom. The C(14)-C(15) bond length is 1.40 Å. The C(14)-C(18) bond length is 1.40 Å. In the fifteenth C site, C(15) is bonded in a distorted trigonal planar geometry to one C(14), one C(16), and one H(10) atom. The C(15)-C(16) bond length is 1.39 Å. The C(15)-H(10) bond length is 1.09 Å. In the sixteenth C site, C(16) is bonded in a distorted bent 120 degrees geometry to one C(15), one N(2), and one H(11) atom. The C(16)-N(2) bond length is 1.35 Å. The C(16)-H(11) bond length is 1.09 Å. In the seventeenth C site, C(17) is bonded in a distorted bent 120 degrees geometry to one N(2) and one H(12) atom. The C(17)-N(2) bond length is 1.35 Å. The C(17)-H(12) bond length is 1.09 Å. In the eighteenth C site, C(18) is bonded in a distorted single-bond geometry to one C(14) and one H(13) atom. The C(18)-H(13) bond length is 1.09 Å. In the nineteenth C site, C(19) is bonded in a distorted bent 120 degrees geometry to one C(20), one O(7), and one O(8) atom. The C(19)-C(20) bond length is 1.50 Å. The C(19)-O(7) bond length is 1.27 Å. The C(19)-O(8) bond length is 1.27 Å. In the twentieth C site, C(20) is bonded in a trigonal planar geometry to one C(19), one C(21), and one C(24) atom. The C(20)-C(21) bond length is 1.40 Å. The C(20)-C(24) bond length is 1.40 Å. In the twenty-first C site, C(21) is bonded in a distorted trigonal planar geometry to one C(20), one C(22), and one H(14) atom. The C(21)-C(22) bond length is 1.39 Å. The C(21)-H(14) bond length is 1.09 Å. In the twenty-second C site, C(22) is bonded in a distorted bent 120 degrees geometry to one C(21), one N(3), and one H(15) atom. The C(22)-N(3) bond length is 1.35 Å. The C(22)-H(15) bond length is 1.09 Å. In the twenty-third C site, C(23) is bonded in a distorted bent 120 degrees geometry to one C(24), one N(3), and one H(16) atom. The C(23)-C(24) bond length is 1.39 Å. The C(23)-N(3) bond length is 1.35 Å. The C(23)-H(16) bond length is 1.09 Å. In the twenty-fourth C site, C(24) is bonded in a distorted trigonal planar geometry to one C(20), one C(23), and one H(17) atom. The C(24)-H(17) bond length is 1.09 Å. In the twenty-fifth C site, C(25) is bonded in a distorted bent 120 degrees geometry to one C(26), one O(10), and one O(9) atom. The C(25)-C(26) bond length is 1.51 Å. The C(25)-O(10) bond length is 1.27 Å. The C(25)-O(9) bond length is 1.27 Å. In the twenty-sixth C site, C(26) is bonded in a trigonal planar geometry to one C(25), one C(27), and one C(30) atom. The C(26)-C(27) bond length is 1.40 Å. The C(26)-C(30) bond length is 1.40 Å. In the twenty-seventh C site, C(27) is bonded in a distorted trigonal planar geometry to one C(26), one C(28), and one H(18) atom. The C(27)-C(28) bond length is 1.40 Å. The C(27)-H(18) bond length is 1.09 Å. In the twenty-eighth C site, C(28) is bonded in a distorted trigonal planar geometry to one C(27), one N(4), and one H(19) atom. The C(28)-N(4) bond length is 1.35 Å. The C(28)-H(19) bond length is 1.09 Å. In the twenty-ninth C site, C(29) is bonded in a distorted trigonal planar geometry to one C(30), one N(4), and one H(20) atom. The C(29)-C(30) bond length is 1.38 Å. The C(29)-N(4) bond length is 1.35 Å. The C(29)-H(20) bond length is 1.09 Å. In the thirtieth C site, C(30) is bonded in a distorted trigonal planar geometry to one C(26), one C(29), and one H(21) atom. The C(30)-H(21) bond length is 1.09 Å. In the thirty-first C site, C(31) is bonded in a distorted bent 120 degrees geometry to one C(32), one O(11), and one O(12) atom. The C(31)-C(32) bond length is 1.50 Å. The C(31)-O(11) bond length is 1.27 Å. The C(31)-O(12) bond length is 1.28 Å. In the thirty-second C site, C(32) is bonded in a trigonal planar geometry to one C(31), one C(33), and one C(36) atom. The C(32)-C(33) bond length is 1.40 Å. The C(32)-C(36) bond length is 1.40 Å. In the thirty-third C site, C(33) is bonded in a distorted single-bond geometry to one C(32) and one H(22) atom. The C(33)-H(22) bond length is 1.09 Å. In the thirty-fourth C site, C(34) is bonded in a distorted bent 120 degrees geometry to one N(5) and one H(23,24) atom. The C(34)-N(5) bond length is 1.35 Å. The C(34)-H(23,24) bond length is 1.09 Å. In the thirty-fifth C site, C(35) is bonded in a distorted bent 120 degrees geometry to one N(5) and one H(23,24) atom. The C(35)-N(5) bond length is 1.35 Å. The C(35)-H(23,24) bond length is 1.09 Å. In the thirty-sixth C site, C(36) is bonded in a distorted single-bond geometry to one C(32) and one H(25) atom. The C(36)-H(25) bond length is 1.09 Å. In the thirty-seventh C site, C(37) is bonded in a distorted bent 120 degrees geometry to one C(1), one O(13), and one O(14) atom. The C(37)-O(13) bond length is 1.29 Å. The C(37)-O(14) bond length is 1.27 Å. There are five inequivalent N sites. In the first N site, N(1) is bonded in a trigonal planar geometry to one Ni(3), one C(10), and one C(11) atom. In the second N site, N(2) is bonded in a trigonal planar geometry to one Ni(1), one C(16), and one C(17) atom. In the third N site, N(3) is bonded in a trigonal planar geometry to one Ni(1), one C(22), and one C(23) atom. In the fourth N site, N(4) is bonded in a trigonal planar geometry to one Ni(2), one C(28), and one C(29) atom. In the fifth N site, N(5) is bonded in a trigonal planar geometry to one Ni(4), one C(34), and one C(35) atom. There are twenty-six inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one C(2) atom. In the second H site, H(2) is bonded in a single-bond geometry to one C(3) atom. In the third H site, H(3) is bonded in a single-bond geometry to one C(4) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one C(5) atom. In the fifth H site, H(5) is bonded in a single-bond geometry to one C(6) atom. In the sixth H site, H(6) is bonded in a single-bond geometry to one C(9) atom. In the seventh H site, H(7) is bonded in a single-bond geometry to one C(10) atom. In the eighth H site, H(8) is bonded in a single-bond geometry to one C(11) atom. In the ninth H site, H(9) is bonded in a single-bond geometry to one C(12) atom. In the tenth H site, H(10) is bonded in a single-bond geometry to one C(15) atom. In the eleventh H site, H(11) is bonded in a single-bond geometry to one C(16) atom. In the twelfth H site, H(12) is bonded in a single-bond geometry to one C(17) atom. In the thirteenth H site, H(13) is bonded in a single-bond geometry to one C(18) atom. In the fourteenth H site, H(14) is bonded in a single-bond geometry to one C(21) atom. In the fifteenth H site, H(15) is bonded in a single-bond geometry to one C(22) atom. In the sixteenth H site, H(16) is bonded in a single-bond geometry to one C(23) atom. In the seventeenth H site, H(17) is bonded in a single-bond geometry to one C(24) atom. In the eighteenth H site, H(18) is bonded in a single-bond geometry to one C(27) atom. In the nineteenth H site, H(19) is bonded in a single-bond geometry to one C(28) atom. In the twentieth H site, H(20) is bonded in a single-bond geometry to one C(29) atom. In the twenty-first H site, H(21) is bonded in a single-bond geometry to one C(30) atom. In the twenty-second H site, H(22) is bonded in a single-bond geometry to one C(33) atom. In the twenty-third H site, H(23,24) is bonded in a single-bond geometry to one C(34) atom. In the twenty-fourth H site, H(25) is bonded in a single-bond geometry to one C(36) atom. In the twenty-fifth H site, H(26) is bonded in a single-bond geometry to one O(1) atom. The H(26)-O(1) bond length is 0.97 Å. In the twenty-sixth H site, H(27) is bonded in a single-bond geometry to one O(2) atom. The H(27)-O(2) bond length is 0.99 Å. There are fourteen inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one Ni(1), one Ni(2), one Ni(3), and one H(26) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to one Ni(2), one Ni(3), one Ni(4), and one H(27) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one Ni(1) and one C(7) atom. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to one Ni(2) and one C(7) atom. In the fifth O site, O(5) is bonded in a single-bond geometry to one C(13) atom. In the sixth O site, O(6) is bonded in a bent 120 degrees geometry to one Ni(4) and one C(13) atom. In the seventh O site, O(7) is bonded in a bent 120 degrees geometry to one Ni(2) and one C(19) atom. In the eighth O site, O(8) is bonded in a bent 120 degrees geometry to one Ni(3) and one C(19) atom. In the ninth O site, O(9) is bonded in a bent 120 degrees geometry to one Ni(3) and one C(25) atom. In the tenth O site, O(10) is bonded in a distorted bent 120 degrees geometry to one Ni(4) and one C(25) atom. In the eleventh O site, O(11) is bonded in a distorted bent 120 degrees geometry to one Ni(1) and one C(31) atom. In the twelfth O site, O(12) is bonded in a 3-coordinate geometry to one Ni(3), one Ni(4), and one C(31) atom. In the thirteenth O site, O(13) is bonded in a 3-coordinate geometry to one Ni(1), one Ni(2), and one C(37) atom. In the fourteenth O site, O(14) is bonded in a distorted bent 120 degrees geometry to one Ni(4) and one C(37) atom. Linkers: 20 [O]C(=O)c1ccncc1. Metal clusters: 16 [Ni]. The MOF has largest included sphere 5.34 A, density 1.31 g/cm3, surface area 3724.33 m2/g, accessible volume 0.33 cm3/g