NiC28N7H26O4 crystallizes in the monoclinic P2_1/c space group. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in an octahedral geometry to one N(10), one N(2), one N(4), one N(8), one O(5), and one O(7) atom. The Ni(1)-N(10) bond length is 2.06 Å. The Ni(1)-N(2) bond length is 2.08 Å. The Ni(1)-N(4) bond length is 2.09 Å. The Ni(1)-N(8) bond length is 1.99 Å. The Ni(1)-O(5) bond length is 2.13 Å. The Ni(1)-O(7) bond length is 2.21 Å. In the second Ni site, Ni(2) is bonded in an octahedral geometry to one N(12), one N(14), one N(6), one N(7), one O(1), and one O(3) atom. The Ni(2)-N(12) bond length is 2.09 Å. The Ni(2)-N(14) bond length is 2.11 Å. The Ni(2)-N(6) bond length is 2.02 Å. The Ni(2)-N(7) bond length is 1.98 Å. The Ni(2)-O(1) bond length is 2.15 Å. The Ni(2)-O(3) bond length is 2.18 Å. There are fifty-six inequivalent C sites. In the first C site, C(1) is bonded in a trigonal planar geometry to one C(11), one C(2), and one C(6) atom. The C(1)-C(11) bond length is 1.50 Å. The C(1)-C(2) bond length is 1.39 Å. The C(1)-C(6) bond length is 1.41 Å. In the second C site, C(2) is bonded in a trigonal planar geometry to one C(1), one C(15), and one C(3) atom. The C(2)-C(15) bond length is 1.52 Å. The C(2)-C(3) bond length is 1.40 Å. In the third C site, C(3) is bonded in a trigonal planar geometry to one C(16), one C(2), and one C(4) atom. The C(3)-C(16) bond length is 1.52 Å. The C(3)-C(4) bond length is 1.40 Å. In the fourth C site, C(4) is bonded in a trigonal planar geometry to one C(20), one C(3), and one C(5) atom. The C(4)-C(20) bond length is 1.52 Å. The C(4)-C(5) bond length is 1.39 Å. In the fifth C site, C(5) is bonded in a trigonal planar geometry to one C(21), one C(4), and one C(6) atom. The C(5)-C(21) bond length is 1.52 Å. The C(5)-C(6) bond length is 1.39 Å. In the sixth C site, C(6) is bonded in a trigonal planar geometry to one C(1), one C(25), and one C(5) atom. The C(6)-C(25) bond length is 1.50 Å. In the seventh C site, C(7) is bonded in a distorted bent 120 degrees geometry to one O(1) and one O(2) atom. The C(7)-O(1) bond length is 1.25 Å. The C(7)-O(2) bond length is 1.23 Å. In the eighth C site, C(8) is bonded in a distorted bent 120 degrees geometry to one C(30), one O(3), and one O(4) atom. The C(8)-C(30) bond length is 1.52 Å. The C(8)-O(3) bond length is 1.28 Å. The C(8)-O(4) bond length is 1.23 Å. In the ninth C site, C(9) is bonded in a distorted bent 120 degrees geometry to one C(35), one O(5), and one O(6) atom. The C(9)-C(35) bond length is 1.52 Å. The C(9)-O(5) bond length is 1.28 Å. The C(9)-O(6) bond length is 1.23 Å. In the tenth C site, C(10) is bonded in a distorted bent 120 degrees geometry to one C(31), one O(7), and one O(8) atom. The C(10)-C(31) bond length is 1.52 Å. The C(10)-O(7) bond length is 1.26 Å. The C(10)-O(8) bond length is 1.25 Å. In the eleventh C site, C(11) is bonded in a 3-coordinate geometry to one C(1); one N(1); and two equivalent H(1,2) atoms. The C(11)-N(1) bond length is 1.48 Å. Both C(11)-H(1,2) bond lengths are 0.99 Å. In the twelfth C site, C(12) is bonded in a trigonal planar geometry to one N(1), one N(2), and one H(3) atom. The C(12)-N(1) bond length is 1.34 Å. The C(12)-N(2) bond length is 1.31 Å. The C(12)-H(3) bond length is 0.95 Å. In the thirteenth C site, C(13) is bonded in a 3-coordinate geometry to one C(14), one N(2), and one H(4) atom. The C(13)-C(14) bond length is 1.36 Å. The C(13)-N(2) bond length is 1.37 Å. The C(13)-H(4) bond length is 0.95 Å. In the fourteenth C site, C(14) is bonded in a distorted bent 120 degrees geometry to one C(13), one N(1), and one H(5) atom. The C(14)-N(1) bond length is 1.36 Å. The C(14)-H(5) bond length is 0.95 Å. In the fifteenth C site, C(15) is bonded in a trigonal non-coplanar geometry to one C(2) and three equivalent H(6,7,8) atoms. All C(15)-H(6,7,8) bond lengths are 0.98 Å. In the sixteenth C site, C(16) is bonded in a 3-coordinate geometry to one C(3); one N(3); and two equivalent H(9,10) atoms. The C(16)-N(3) bond length is 1.47 Å. Both C(16)-H(9,10) bond lengths are 0.99 Å. In the seventeenth C site, C(17) is bonded in a trigonal planar geometry to one N(3), one N(4), and one H(11) atom. The C(17)-N(3) bond length is 1.34 Å. The C(17)-N(4) bond length is 1.32 Å. The C(17)-H(11) bond length is 0.95 Å. In the eighteenth C site, C(18) is bonded in a distorted bent 120 degrees geometry to one C(19), one N(4), and one H(12) atom. The C(18)-C(19) bond length is 1.35 Å. The C(18)-N(4) bond length is 1.36 Å. The C(18)-H(12) bond length is 0.95 Å. In the nineteenth C site, C(19) is bonded in a distorted bent 120 degrees geometry to one C(18), one N(3), and one H(13) atom. The C(19)-N(3) bond length is 1.37 Å. The C(19)-H(13) bond length is 0.95 Å. In the twentieth C site, C(20) is bonded in a trigonal non-coplanar geometry to one C(4) and three equivalent H(14,15,16) atoms. All C(20)-H(14,15,16) bond lengths are 0.98 Å. In the twenty-first C site, C(21) is bonded in a 3-coordinate geometry to one C(5); one N(5); and two equivalent H(17,18) atoms. The C(21)-N(5) bond length is 1.47 Å. Both C(21)-H(17,18) bond lengths are 0.99 Å. In the twenty-second C site, C(22) is bonded in a trigonal planar geometry to one N(5), one N(6), and one H(19) atom. The C(22)-N(5) bond length is 1.33 Å. The C(22)-N(6) bond length is 1.31 Å. The C(22)-H(19) bond length is 0.95 Å. In the twenty-third C site, C(23) is bonded in a distorted bent 120 degrees geometry to one N(6) and one H(20) atom. The C(23)-N(6) bond length is 1.38 Å. The C(23)-H(20) bond length is 0.95 Å. In the twenty-fourth C site, C(24) is bonded in a distorted bent 120 degrees geometry to one N(5) and one H(21) atom. The C(24)-N(5) bond length is 1.36 Å. The C(24)-H(21) bond length is 0.95 Å. In the twenty-fifth C site, C(25) is bonded in a trigonal non-coplanar geometry to one C(6); one H(23); and two equivalent H(22,24) atoms. The C(25)-H(23) bond length is 0.98 Å. Both C(25)-H(22,24) bond lengths are 0.98 Å. In the twenty-sixth C site, C(26) is bonded in a distorted single-bond geometry to one N(7) atom. The C(26)-N(7) bond length is 1.33 Å. In the twenty-seventh C site, C(27) is bonded in a distorted single-bond geometry to one C(28) and one H(25) atom. The C(27)-C(28) bond length is 1.40 Å. The C(27)-H(25) bond length is 0.95 Å. In the twenty-eighth C site, C(28) is bonded in a trigonal planar geometry to one C(27), one C(29), and one C(33) atom. The C(28)-C(29) bond length is 1.39 Å. The C(28)-C(33) bond length is 1.49 Å. In the twenty-ninth C site, C(29) is bonded in a distorted single-bond geometry to one C(28), one C(30), and one H(26) atom. The C(29)-C(30) bond length is 1.38 Å. The C(29)-H(26) bond length is 0.95 Å. In the thirtieth C site, C(30) is bonded in a distorted trigonal planar geometry to one C(29), one C(8), and one N(7) atom. The C(30)-N(7) bond length is 1.33 Å. In the thirty-first C site, C(31) is bonded in a distorted single-bond geometry to one C(10), one C(32), and one N(8) atom. The C(31)-C(32) bond length is 1.38 Å. The C(31)-N(8) bond length is 1.33 Å. In the thirty-second C site, C(32) is bonded in a distorted single-bond geometry to one C(31), one C(33), and one H(27) atom. The C(32)-C(33) bond length is 1.39 Å. The C(32)-H(27) bond length is 0.95 Å. In the thirty-third C site, C(33) is bonded in a trigonal planar geometry to one C(28), one C(32), and one C(34) atom. The C(33)-C(34) bond length is 1.40 Å. In the thirty-fourth C site, C(34) is bonded in a distorted single-bond geometry to one C(33), one C(35), and one H(28) atom. The C(34)-C(35) bond length is 1.38 Å. The C(34)-H(28) bond length is 0.95 Å. In the thirty-fifth C site, C(35) is bonded in a distorted single-bond geometry to one C(34), one C(9), and one N(8) atom. The C(35)-N(8) bond length is 1.33 Å. In the thirty-sixth C site, C(36) is bonded in a trigonal planar geometry to one C(37), one C(41), and one C(42) atom. The C(36)-C(37) bond length is 1.40 Å. The C(36)-C(41) bond length is 1.40 Å. The C(36)-C(42) bond length is 1.51 Å. In the thirty-seventh C site, C(37) is bonded in a trigonal planar geometry to one C(36), one C(38), and one C(46) atom. The C(37)-C(38) bond length is 1.40 Å. The C(37)-C(46) bond length is 1.52 Å. In the thirty-eighth C site, C(38) is bonded in a trigonal planar geometry to one C(37), one C(39), and one C(47) atom. The C(38)-C(39) bond length is 1.41 Å. The C(38)-C(47) bond length is 1.51 Å. In the thirty-ninth C site, C(39) is bonded in a trigonal planar geometry to one C(38), one C(40), and one C(51) atom. The C(39)-C(40) bond length is 1.39 Å. The C(39)-C(51) bond length is 1.51 Å. In the fortieth C site, C(40) is bonded in a trigonal planar geometry to one C(39), one C(41), and one C(52) atom. The C(40)-C(41) bond length is 1.40 Å. The C(40)-C(52) bond length is 1.52 Å. In the forty-first C site, C(41) is bonded in a trigonal planar geometry to one C(36), one C(40), and one C(56) atom. The C(41)-C(56) bond length is 1.51 Å. In the forty-second C site, C(42) is bonded in a 3-coordinate geometry to one C(36); one N(9); and two equivalent H(29,30) atoms. The C(42)-N(9) bond length is 1.48 Å. Both C(42)-H(29,30) bond lengths are 0.99 Å. In the forty-third C site, C(43) is bonded in a trigonal planar geometry to one N(10), one N(9), and one H(31) atom. The C(43)-N(10) bond length is 1.32 Å. The C(43)-N(9) bond length is 1.34 Å. The C(43)-H(31) bond length is 0.95 Å. In the forty-fourth C site, C(44) is bonded in a distorted bent 120 degrees geometry to one N(10) and one H(32) atom. The C(44)-N(10) bond length is 1.38 Å. The C(44)-H(32) bond length is 0.95 Å. In the forty-fifth C site, C(45) is bonded in a distorted bent 120 degrees geometry to one N(9) and one H(33) atom. The C(45)-N(9) bond length is 1.36 Å. The C(45)-H(33) bond length is 0.95 Å. In the forty-sixth C site, C(46) is bonded in a trigonal non-coplanar geometry to one C(37); one H(34); and two equivalent H(35,36) atoms. The C(46)-H(34) bond length is 0.98 Å. Both C(46)-H(35,36) bond lengths are 0.98 Å. In the forty-seventh C site, C(47) is bonded in a 3-coordinate geometry to one C(38); one N(11); and two equivalent H(37,38) atoms. The C(47)-N(11) bond length is 1.47 Å. Both C(47)-H(37,38) bond lengths are 0.99 Å. In the forty-eighth C site, C(48) is bonded in a trigonal planar geometry to one N(11), one N(12), and one H(39) atom. The C(48)-N(11) bond length is 1.34 Å. The C(48)-N(12) bond length is 1.32 Å. The C(48)-H(39) bond length is 0.95 Å. In the forty-ninth C site, C(49) is bonded in a distorted bent 120 degrees geometry to one N(12) and one H(40) atom. The C(49)-N(12) bond length is 1.35 Å. The C(49)-H(40) bond length is 0.95 Å. In the fiftieth C site, C(50) is bonded in a distorted bent 120 degrees geometry to one N(11) and one H(41) atom. The C(50)-N(11) bond length is 1.37 Å. The C(50)-H(41) bond length is 0.95 Å. In the fifty-first C site, C(51) is bonded in a trigonal non-coplanar geometry to one C(39) and three equivalent H(42,43,44) atoms. All C(51)-H(42,43,44) bond lengths are 0.98 Å. In the fifty-second C site, C(52) is bonded in a 3-coordinate geometry to one C(40); one N(13); and two equivalent H(45,46) atoms. The C(52)-N(13) bond length is 1.47 Å. Both C(52)-H(45,46) bond lengths are 0.99 Å. In the fifty-third C site, C(53) is bonded in a trigonal planar geometry to one N(13), one N(14), and one H(47) atom. The C(53)-N(13) bond length is 1.34 Å. The C(53)-N(14) bond length is 1.32 Å. The C(53)-H(47) bond length is 0.95 Å. In the fifty-fourth C site, C(54) is bonded in a 3-coordinate geometry to one C(55), one N(14), and one H(48) atom. The C(54)-C(55) bond length is 1.35 Å. The C(54)-N(14) bond length is 1.37 Å. The C(54)-H(48) bond length is 0.95 Å. In the fifty-fifth C site, C(55) is bonded in a distorted bent 120 degrees geometry to one C(54), one N(13), and one H(49) atom. The C(55)-N(13) bond length is 1.37 Å. The C(55)-H(49) bond length is 0.95 Å. In the fifty-sixth C site, C(56) is bonded in a trigonal non-coplanar geometry to one C(41); one H(50); and two equivalent H(51,52) atoms. The C(56)-H(50) bond length is 0.98 Å. Both C(56)-H(51,52) bond lengths are 0.98 Å. There are fourteen inequivalent N sites. In the first N site, N(1) is bonded in a trigonal planar geometry to one C(11), one C(12), and one C(14) atom. In the second N site, N(2) is bonded in a trigonal planar geometry to one Ni(1), one C(12), and one C(13) atom. In the third N site, N(3) is bonded in a trigonal planar geometry to one C(16), one C(17), and one C(19) atom. In the fourth N site, N(4) is bonded in a distorted trigonal planar geometry to one Ni(1), one C(17), and one C(18) atom. In the fifth N site, N(5) is bonded in a trigonal planar geometry to one C(21), one C(22), and one C(24) atom. In the sixth N site, N(6) is bonded in a trigonal planar geometry to one Ni(2), one C(22), and one C(23) atom. In the seventh N site, N(7) is bonded in a trigonal planar geometry to one Ni(2), one C(26), and one C(30) atom. In the eighth N site, N(8) is bonded in a trigonal planar geometry to one Ni(1), one C(31), and one C(35) atom. In the ninth N site, N(9) is bonded in a trigonal planar geometry to one C(42), one C(43), and one C(45) atom. In the tenth N site, N(10) is bonded in a trigonal planar geometry to one Ni(1), one C(43), and one C(44) atom. In the eleventh N site, N(11) is bonded in a trigonal planar geometry to one C(47), one C(48), and one C(50) atom. In the twelfth N site, N(12) is bonded in a trigonal planar geometry to one Ni(2), one C(48), and one C(49) atom. In the thirteenth N site, N(13) is bonded in a trigonal planar geometry to one C(52), one C(53), and one C(55) atom. In the fourteenth N site, N(14) is bonded in a distorted trigonal planar geometry to one Ni(2), one C(53), and one C(54) atom. There are thirty-seven inequivalent H sites. In the first H site, H(1,2) is bonded in a single-bond geometry to one C(11) atom. In the second H site, H(3) is bonded in a single-bond geometry to one C(12) atom. In the third H site, H(4) is bonded in a single-bond geometry to one C(13) atom. In the fourth H site, H(5) is bonded in a single-bond geometry to one C(14) atom. In the fifth H site, H(6,7,8) is bonded in a single-bond geometry to one C(15) atom. In the sixth H site, H(9,10) is bonded in a single-bond geometry to one C(16) atom. In the seventh H site, H(11) is bonded in a single-bond geometry to one C(17) atom. In the eighth H site, H(12) is bonded in a single-bond geometry to one C(18) atom. In the ninth H site, H(13) is bonded in a single-bond geometry to one C(19) atom. In the tenth H site, H(14,15,16) is bonded in a single-bond geometry to one C(20) atom. In the eleventh H site, H(17,18) is bonded in a single-bond geometry to one C(21) atom. In the twelfth H site, H(19) is bonded in a single-bond geometry to one C(22) atom. In the thirteenth H site, H(20) is bonded in a single-bond geometry to one C(23) atom. In the fourteenth H site, H(21) is bonded in a single-bond geometry to one C(24) atom. In the fifteenth H site, H(22,24) is bonded in a single-bond geometry to one C(25) atom. In the sixteenth H site, H(23) is bonded in a single-bond geometry to one C(25) atom. In the seventeenth H site, H(25) is bonded in a single-bond geometry to one C(27) atom. In the eighteenth H site, H(26) is bonded in a single-bond geometry to one C(29) atom. In the nineteenth H site, H(27) is bonded in a single-bond geometry to one C(32) atom. In the twentieth H site, H(28) is bonded in a single-bond geometry to one C(34) atom. In the twenty-first H site, H(29,30) is bonded in a single-bond geometry to one C(42) atom. In the twenty-second H site, H(31) is bonded in a single-bond geometry to one C(43) atom. In the twenty-third H site, H(32) is bonded in a single-bond geometry to one C(44) atom. In the twenty-fourth H site, H(33) is bonded in a single-bond geometry to one C(45) atom. In the twenty-fifth H site, H(34) is bonded in a single-bond geometry to one C(46) atom. In the twenty-sixth H site, H(35,36) is bonded in a single-bond geometry to one C(46) atom. In the twenty-seventh H site, H(37,38) is bonded in a single-bond geometry to one C(47) atom. In the twenty-eighth H site, H(39) is bonded in a single-bond geometry to one C(48) atom. In the twenty-ninth H site, H(40) is bonded in a single-bond geometry to one C(49) atom. In the thirtieth H site, H(41) is bonded in a single-bond geometry to one C(50) atom. In the thirty-first H site, H(42,43,44) is bonded in a single-bond geometry to one C(51) atom. In the thirty-second H site, H(45,46) is bonded in a single-bond geometry to one C(52) atom. In the thirty-third H site, H(47) is bonded in a single-bond geometry to one C(53) atom. In the thirty-fourth H site, H(48) is bonded in a single-bond geometry to one C(54) atom. In the thirty-fifth H site, H(49) is bonded in a single-bond geometry to one C(55) atom. In the thirty-sixth H site, H(50) is bonded in a single-bond geometry to one C(56) atom. In the thirty-seventh H site, H(51,52) is bonded in a single-bond geometry to one C(56) atom. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 120 degrees geometry to one Ni(2) and one C(7) atom. In the second O site, O(2) is bonded in a single-bond geometry to one C(7) atom. In the third O site, O(3) is bonded in a distorted bent 120 degrees geometry to one Ni(2) and one C(8) atom. In the fourth O site, O(4) is bonded in a single-bond geometry to one C(8) atom. In the fifth O site, O(5) is bonded in a bent 120 degrees geometry to one Ni(1) and one C(9) atom. In the sixth O site, O(6) is bonded in a single-bond geometry to one C(9) atom. In the seventh O site, O(7) is bonded in a distorted bent 120 degrees geometry to one Ni(1) and one C(10) atom. In the eighth O site, O(8) is bonded in a single-bond geometry to one C(10) atom. Linkers: 8 Cc1c(Cn2ccnc2)c(C)c(Cn2ccnc2)c(C)c1Cn1ccnc1 ,4 [O]C(=O)c1cc(-c2cc(C([O])=O)nc(C([O])=O)c2)cc(C([O])=O)n1. Metal clusters: 8 [Ni]. The MOF has largest included sphere 5.76 A, density 1.21 g/cm3, surface area 4704.39 m2/g, accessible volume 0.34 cm3/g