Ni2C31N4H25O13CH(CH2)2 crystallizes in the orthorhombic P2_12_12_1 space group. The structure consists of four 02329_fluka molecules and eight 02329_fluka molecules inside a Ni2C31N4H25O13 framework. In the Ni2C31N4H25O13 framework, there are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one N(1), one O(11), one O(12), one O(13), one O(2), and one O(3) atom to form distorted corner-sharing NiNO5 octahedra. The corner-sharing octahedral tilt angles are 60°. The Ni(1)-N(1) bond length is 2.05 Å. The Ni(1)-O(11) bond length is 2.04 Å. The Ni(1)-O(12) bond length is 2.12 Å. The Ni(1)-O(13) bond length is 1.76 Å. The Ni(1)-O(2) bond length is 2.02 Å. The Ni(1)-O(3) bond length is 1.98 Å. In the second Ni site, Ni(2) is bonded to one N(2), one O(1), one O(10), one O(13), one O(4), and one O(7) atom to form distorted corner-sharing NiNO5 octahedra. The corner-sharing octahedral tilt angles are 60°. The Ni(2)-N(2) bond length is 2.18 Å. The Ni(2)-O(1) bond length is 2.09 Å. The Ni(2)-O(10) bond length is 1.97 Å. The Ni(2)-O(13) bond length is 1.79 Å. The Ni(2)-O(4) bond length is 2.09 Å. The Ni(2)-O(7) bond length is 2.04 Å. There are thirty-one inequivalent C sites. In the first C site, C(1) is bonded in a distorted bent 120 degrees geometry to one C(2), one O(5), and one O(6) atom. The C(1)-C(2) bond length is 1.50 Å. The C(1)-O(5) bond length is 1.33 Å. The C(1)-O(6) bond length is 1.24 Å. In the second C site, C(33) is bonded in a distorted bent 120 degrees geometry to one C(32), one N(2), and one H(25) atom. The C(33)-C(32) bond length is 1.40 Å. The C(33)-N(2) bond length is 1.34 Å. The C(33)-H(25) bond length is 1.09 Å. In the third C site, C(2) is bonded in a trigonal planar geometry to one C(1), one C(3), and one C(7) atom. The C(2)-C(3) bond length is 1.40 Å. The C(2)-C(7) bond length is 1.41 Å. In the fourth C site, C(34) is bonded in a distorted bent 120 degrees geometry to one C(30), one N(2), and one H(26) atom. The C(34)-C(30) bond length is 1.40 Å. The C(34)-N(2) bond length is 1.34 Å. The C(34)-H(26) bond length is 1.09 Å. In the fifth C site, C(3) is bonded in a distorted single-bond geometry to one C(2), one C(4), and one H(1) atom. The C(3)-C(4) bond length is 1.40 Å. The C(3)-H(1) bond length is 1.09 Å. In the sixth C site, C(4) is bonded in a trigonal planar geometry to one C(3), one C(5), and one C(6) atom. The C(4)-C(5) bond length is 1.50 Å. The C(4)-C(6) bond length is 1.39 Å. In the seventh C site, C(5) is bonded in a distorted bent 120 degrees geometry to one C(4), one O(3), and one O(4) atom. The C(5)-O(3) bond length is 1.28 Å. The C(5)-O(4) bond length is 1.27 Å. In the eighth C site, C(6) is bonded in a distorted single-bond geometry to one C(4), one C(8), and one H(2) atom. The C(6)-C(8) bond length is 1.40 Å. The C(6)-H(2) bond length is 1.09 Å. In the ninth C site, C(7) is bonded in a distorted single-bond geometry to one C(2), one C(8), and one H(3) atom. The C(7)-C(8) bond length is 1.40 Å. The C(7)-H(3) bond length is 1.09 Å. In the tenth C site, C(8) is bonded in a trigonal planar geometry to one C(6), one C(7), and one C(9) atom. The C(8)-C(9) bond length is 1.51 Å. In the eleventh C site, C(9) is bonded in a distorted bent 120 degrees geometry to one C(8), 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 1.28 Å. In the twelfth C site, C(10) is bonded in a distorted bent 120 degrees geometry to one C(11), one O(7), and one O(8) atom. The C(10)-C(11) bond length is 1.50 Å. The C(10)-O(7) bond length is 1.28 Å. The C(10)-O(8) bond length is 1.27 Å. In the thirteenth C site, C(11) is bonded in a trigonal planar geometry to one C(10), one C(12), and one C(16) atom. The C(11)-C(12) bond length is 1.40 Å. The C(11)-C(16) bond length is 1.40 Å. In the fourteenth C site, C(12) is bonded in a distorted single-bond geometry to one C(11), one C(13), and one H(4) atom. The C(12)-C(13) bond length is 1.40 Å. The C(12)-H(4) bond length is 1.09 Å. In the fifteenth C site, C(13) is bonded in a trigonal planar geometry to one C(12), one C(14), and one C(17) atom. The C(13)-C(14) bond length is 1.40 Å. The C(13)-C(17) bond length is 1.51 Å. In the sixteenth C site, C(14) is bonded in a distorted single-bond geometry to one C(13), one C(15), and one H(5) atom. The C(14)-C(15) bond length is 1.40 Å. The C(14)-H(5) bond length is 1.09 Å. In the seventeenth C site, C(15) is bonded in a trigonal planar geometry to one C(14), one C(16), and one C(18) atom. The C(15)-C(16) bond length is 1.40 Å. The C(15)-C(18) bond length is 1.48 Å. In the eighteenth C site, C(16) is bonded in a distorted trigonal planar geometry to one C(11), one C(15), and one H(6) atom. The C(16)-H(6) bond length is 1.09 Å. In the nineteenth C site, C(17) is bonded in a distorted bent 120 degrees geometry to one C(13), one O(10), and one O(9) atom. The C(17)-O(10) bond length is 1.30 Å. The C(17)-O(9) bond length is 1.24 Å. In the twentieth C site, C(18) is bonded in a bent 120 degrees geometry to one C(15), one O(11), and one O(12) atom. The C(18)-O(11) bond length is 1.28 Å. The C(18)-O(12) bond length is 1.28 Å. In the twenty-first C site, C(19) is bonded in a distorted bent 120 degrees geometry to one N(1) and one H(7) atom. The C(19)-N(1) bond length is 1.34 Å. The C(19)-H(7) bond length is 1.09 Å. In the twenty-second C site, C(21) is bonded in a distorted single-bond geometry to one C(22) and one H(9) atom. The C(21)-C(22) bond length is 1.40 Å. The C(21)-H(9) bond length is 1.09 Å. In the twenty-third C site, C(22) is bonded in a trigonal planar geometry to one C(21), one C(23), and one C(24) atom. The C(22)-C(23) bond length is 1.40 Å. The C(22)-C(24) bond length is 1.51 Å. In the twenty-fourth C site, C(23) is bonded in a distorted trigonal planar geometry to one C(22), one N(1), and one H(10) atom. The C(23)-N(1) bond length is 1.34 Å. The C(23)-H(10) bond length is 1.09 Å. In the twenty-fifth C site, C(24) is bonded in a distorted trigonal non-coplanar geometry to one C(22), one N(3), one H(11), and one H(12) atom. The C(24)-N(3) bond length is 1.48 Å. The C(24)-H(11) bond length is 1.10 Å. The C(24)-H(12) bond length is 1.10 Å. In the twenty-sixth C site, C(25) is bonded in a distorted trigonal non-coplanar geometry to one N(3), one H(13), and one H(14) atom. The C(25)-N(3) bond length is 1.48 Å. The C(25)-H(13) bond length is 1.10 Å. The C(25)-H(14) bond length is 1.10 Å. In the twenty-seventh C site, C(31) is bonded in a distorted single-bond geometry to one C(30), one C(32), and one H(23) atom. The C(31)-C(30) bond length is 1.40 Å. The C(31)-C(32) bond length is 1.39 Å. The C(31)-H(23) bond length is 1.09 Å. In the twenty-eighth C site, C(28) is bonded in a 3-coordinate geometry to one N(4), one H(19), and one H(20) atom. The C(28)-N(4) bond length is 1.50 Å. The C(28)-H(19) bond length is 1.10 Å. The C(28)-H(20) bond length is 1.10 Å. In the twenty-ninth C site, C(29) is bonded in a distorted trigonal non-coplanar geometry to one C(30), one N(4), one H(21), and one H(22) atom. The C(29)-C(30) bond length is 1.50 Å. The C(29)-N(4) bond length is 1.50 Å. The C(29)-H(21) bond length is 1.10 Å. The C(29)-H(22) bond length is 1.10 Å. In the thirtieth C site, C(30) is bonded in a trigonal planar geometry to one C(29), one C(31), and one C(34) atom. In the thirty-first C site, C(32) is bonded in a distorted trigonal planar geometry to one C(31), one C(33), and one H(24) atom. The C(32)-H(24) bond length is 1.09 Å. There are four inequivalent N sites. In the first N site, N(1) is bonded in a trigonal planar geometry to one Ni(1), one C(19), and one C(23) atom. In the second N site, N(2) is bonded in a trigonal planar geometry to one Ni(2), one C(33), and one C(34) atom. In the third N site, N(3) is bonded in a tetrahedral geometry to one C(24), one C(25), one H(27), and one H(28) atom. The N(3)-H(27) bond length is 1.52 Å. The N(3)-H(28) bond length is 1.02 Å. In the fourth N site, N(4) is bonded in a distorted tetrahedral geometry to one C(28), one C(29), one H(29), and one H(30) atom. The N(4)-H(29) bond length is 1.11 Å. The N(4)-H(30) bond length is 1.03 Å. There are twenty-five inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one C(3) atom. In the second H site, H(2) is bonded in a single-bond geometry to one C(6) atom. In the third H site, H(3) is bonded in a single-bond geometry to one C(7) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one C(12) atom. In the fifth H site, H(5) is bonded in a single-bond geometry to one C(14) atom. In the sixth H site, H(6) is bonded in a single-bond geometry to one C(16) atom. In the seventh H site, H(7) is bonded in a single-bond geometry to one C(19) atom. In the eighth H site, H(9) is bonded in a single-bond geometry to one C(21) atom. In the ninth H site, H(10) is bonded in a single-bond geometry to one C(23) atom. In the tenth H site, H(11) is bonded in a single-bond geometry to one C(24) atom. In the eleventh H site, H(12) is bonded in a single-bond geometry to one C(24) atom. In the twelfth H site, H(13) is bonded in a single-bond geometry to one C(25) atom. In the thirteenth H site, H(14) is bonded in a single-bond geometry to one C(25) atom. In the fourteenth H site, H(19) is bonded in a single-bond geometry to one C(28) atom. In the fifteenth H site, H(20) is bonded in a single-bond geometry to one C(28) atom. In the sixteenth H site, H(21) is bonded in a single-bond geometry to one C(29) atom. In the seventeenth H site, H(22) is bonded in a single-bond geometry to one C(29) atom. In the eighteenth H site, H(23) is bonded in a single-bond geometry to one C(31) atom. In the nineteenth H site, H(24) is bonded in a single-bond geometry to one C(32) atom. In the twentieth H site, H(25) is bonded in a single-bond geometry to one C(33) atom. In the twenty-first H site, H(26) is bonded in a single-bond geometry to one C(34) atom. In the twenty-second H site, H(27) is bonded in a linear geometry to one N(3) and one O(5) atom. The H(27)-O(5) bond length is 1.08 Å. In the twenty-third H site, H(28) is bonded in a single-bond geometry to one N(3) atom. In the twenty-fourth H site, H(29) is bonded in a distorted linear geometry to one N(4) and one O(8) atom. The H(29)-O(8) bond length is 1.45 Å. In the twenty-fifth H site, H(30) is bonded in a single-bond geometry to one N(4) atom. There are thirteen inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one Ni(2) and one C(9) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one Ni(1) and one C(9) 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(5) atom. In the fifth O site, O(5) is bonded in a water-like geometry to one C(1) and one H(27) atom. In the sixth O site, O(6) is bonded in a single-bond geometry to one C(1) atom. In the seventh O site, O(7) is bonded in a bent 120 degrees geometry to one Ni(2) and one C(10) atom. In the eighth O site, O(8) is bonded in a bent 120 degrees geometry to one C(10) and one H(29) atom. In the ninth O site, O(9) is bonded in a single-bond geometry to one C(17) atom. In the tenth O site, O(10) is bonded in a bent 120 degrees geometry to one Ni(2) and one C(17) atom. In the eleventh O site, O(11) is bonded in an L-shaped geometry to one Ni(1) and one C(18) atom. In the twelfth O site, O(12) is bonded in an L-shaped geometry to one Ni(1) and one C(18) atom. In the thirteenth O site, O(13) is bonded in a bent 120 degrees geometry to one Ni(1) and one Ni(2) atom. Linkers: 4 [O]C(=O)c1cc(C([O])=O)cc(C(=O)O)c1 ,4 [O]C(=O)c1cc(C([O])=O)cc(C([O])=O)c1 ,4 C([NH2]Cc1cccnc1)CCCNCc1cccnc1. Metal clusters: 4 O=[C]O[Ni]12(O[C]=O)O[C]O[Ni]3(O[C]O3)(O[C]O1)O2. The MOF has largest included sphere 4.87 A, density 1.29 g/cm3, surface area 4357.83 m2/g, accessible volume 0.32 cm3/g