MgNiC21N4H15O9(CH)3 crystallizes in the monoclinic P2_1/c space group. The structure consists of twelve 02329_fluka molecules inside a MgNiC21N4H15O9 framework. In the MgNiC21N4H15O9 framework, Mg(1) is bonded in a distorted octahedral geometry to one O(1), one O(2), one O(6), one O(7), one O(8), and one O(9) atom. The Mg(1)-O(1) bond length is 2.11 Å. The Mg(1)-O(2) bond length is 2.09 Å. The Mg(1)-O(6) bond length is 2.04 Å. The Mg(1)-O(7) bond length is 2.07 Å. The Mg(1)-O(8) bond length is 2.16 Å. The Mg(1)-O(9) bond length is 2.05 Å. Ni(1) is bonded in a square co-planar geometry to one N(1), one N(2), one N(3), and one N(4) atom. The Ni(1)-N(1) bond length is 1.89 Å. The Ni(1)-N(2) bond length is 1.88 Å. The Ni(1)-N(3) bond length is 1.86 Å. The Ni(1)-N(4) bond length is 1.87 Å. There are twenty-one inequivalent C sites. In the first C site, C(15) is bonded in a distorted single-bond geometry to one C(16) and one H(8) atom. The C(15)-C(16) bond length is 1.40 Å. The C(15)-H(8) bond length is 1.09 Å. In the second C site, C(16) is bonded in a distorted trigonal planar geometry to one C(11), one C(15), and one N(4) atom. The C(16)-C(11) bond length is 1.41 Å. The C(16)-N(4) bond length is 1.42 Å. In the third C site, C(17) is bonded in a distorted trigonal planar geometry to one C(18), one C(19), and one N(4) atom. The C(17)-C(18) bond length is 1.53 Å. The C(17)-C(19) bond length is 1.45 Å. The C(17)-N(4) bond length is 1.31 Å. In the fourth C site, C(18) is bonded in a distorted bent 120 degrees geometry to one C(17), one O(5), and one O(6) atom. The C(18)-O(5) bond length is 1.25 Å. The C(18)-O(6) bond length is 1.27 Å. In the fifth C site, C(19) is bonded in a trigonal planar geometry to one C(17), one C(20), and one C(24) atom. The C(19)-C(20) bond length is 1.42 Å. The C(19)-C(24) bond length is 1.43 Å. In the sixth C site, C(20) is bonded in a distorted trigonal planar geometry to one C(19), one C(21), and one H(9) atom. The C(20)-C(21) bond length is 1.38 Å. The C(20)-H(9) bond length is 1.09 Å. In the seventh C site, C(21) is bonded in a distorted single-bond geometry to one C(20), one C(22), and one H(10) atom. The C(21)-C(22) bond length is 1.40 Å. The C(21)-H(10) bond length is 1.09 Å. In the eighth C site, C(22) is bonded in a distorted trigonal planar geometry to one C(21), one C(23), and one H(11) atom. The C(22)-C(23) bond length is 1.39 Å. The C(22)-H(11) bond length is 1.09 Å. In the ninth C site, C(23) is bonded in a distorted trigonal planar geometry to one C(22), one C(24), and one H(12) atom. The C(23)-C(24) bond length is 1.41 Å. The C(23)-H(12) bond length is 1.09 Å. In the tenth C site, C(24) is bonded in a distorted trigonal planar geometry to one C(19), one C(23), and one N(1) atom. The C(24)-N(1) bond length is 1.39 Å. In the eleventh C site, C(1) is bonded in a 2-coordinate geometry to one N(1) and one O(1) atom. The C(1)-N(1) bond length is 1.34 Å. The C(1)-O(1) bond length is 1.26 Å. In the twelfth C site, C(2) is bonded in a 2-coordinate geometry to one N(2) and one O(2) atom. The C(2)-N(2) bond length is 1.35 Å. The C(2)-O(2) bond length is 1.26 Å. In the thirteenth C site, C(3) is bonded in a distorted trigonal planar geometry to one C(4), one C(8), and one N(2) atom. The C(3)-C(4) bond length is 1.41 Å. The C(3)-C(8) bond length is 1.43 Å. The C(3)-N(2) bond length is 1.39 Å. In the fourteenth C site, C(4) is bonded in a distorted trigonal planar geometry to one C(3), one C(5), and one H(1) atom. The C(4)-C(5) bond length is 1.39 Å. The C(4)-H(1) bond length is 1.08 Å. In the fifteenth C site, C(5) is bonded in a distorted single-bond geometry to one C(4) and one H(2) atom. The C(5)-H(2) bond length is 1.09 Å. In the sixteenth C site, C(7) is bonded in a distorted single-bond geometry to one C(8) and one H(4) atom. The C(7)-C(8) bond length is 1.42 Å. The C(7)-H(4) bond length is 1.09 Å. In the seventeenth C site, C(8) is bonded in a trigonal planar geometry to one C(3), one C(7), and one C(9) atom. The C(8)-C(9) bond length is 1.45 Å. In the eighteenth C site, C(9) is bonded in a distorted trigonal planar geometry to one C(10), one C(8), and one N(3) atom. The C(9)-C(10) bond length is 1.54 Å. The C(9)-N(3) bond length is 1.32 Å. In the nineteenth C site, C(10) is bonded in a distorted bent 120 degrees geometry to one C(9), one O(3), and one O(4) atom. The C(10)-O(3) bond length is 1.26 Å. The C(10)-O(4) bond length is 1.27 Å. In the twentieth C site, C(11) is bonded in a distorted trigonal planar geometry to one C(12), one C(16), and one N(3) atom. The C(11)-C(12) bond length is 1.40 Å. The C(11)-N(3) bond length is 1.41 Å. In the twenty-first C site, C(12) is bonded in a distorted single-bond geometry to one C(11) and one H(5) atom. The C(12)-H(5) 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(1), and one C(24) atom. In the second N site, N(2) is bonded in a trigonal planar geometry to one Ni(1), one C(2), and one C(3) atom. In the third N site, N(3) is bonded in a trigonal planar geometry to one Ni(1), one C(11), and one C(9) atom. In the fourth N site, N(4) is bonded in a trigonal planar geometry to one Ni(1), one C(16), and one C(17) atom. There are fifteen inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one C(4) atom. In the second H site, H(2) is bonded in a single-bond geometry to one C(5) atom. In the third H site, H(4) is bonded in a single-bond geometry to one C(7) atom. In the fourth H site, H(5) is bonded in a single-bond geometry to one C(12) atom. In the fifth H site, H(8) is bonded in a single-bond geometry to one C(15) atom. In the sixth H site, H(9) is bonded in a single-bond geometry to one C(20) atom. In the seventh H site, H(10) is bonded in a single-bond geometry to one C(21) atom. In the eighth H site, H(11) is bonded in a single-bond geometry to one C(22) atom. In the ninth H site, H(12) is bonded in a single-bond geometry to one C(23) atom. In the tenth H site, H(13) is bonded in a single-bond geometry to one O(7) atom. The H(13)-O(7) bond length is 1.01 Å. In the eleventh H site, H(14) is bonded in a single-bond geometry to one O(7) atom. The H(14)-O(7) bond length is 0.98 Å. In the twelfth H site, H(15) is bonded in a single-bond geometry to one O(8) atom. The H(15)-O(8) bond length is 0.98 Å. In the thirteenth H site, H(16) is bonded in a linear geometry to one O(4) and one O(8) atom. The H(16)-O(4) bond length is 1.56 Å. The H(16)-O(8) bond length is 1.03 Å. In the fourteenth H site, H(17) is bonded in a distorted linear geometry to one O(3) and one O(9) atom. The H(17)-O(3) bond length is 1.58 Å. The H(17)-O(9) bond length is 1.02 Å. In the fifteenth H site, H(18) is bonded in a single-bond geometry to one O(9) atom. The H(18)-O(9) bond length is 0.99 Å. There are nine inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one Mg(1) and one C(1) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one Mg(1) and one C(2) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one C(10) and one H(17) atom. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to one C(10) and one H(16) atom. In the fifth O site, O(5) is bonded in a single-bond geometry to one C(18) atom. In the sixth O site, O(6) is bonded in a distorted bent 120 degrees geometry to one Mg(1) and one C(18) atom. In the seventh O site, O(7) is bonded in a distorted trigonal non-coplanar geometry to one Mg(1), one H(13), and one H(14) atom. In the eighth O site, O(8) is bonded in a distorted water-like geometry to one Mg(1), one H(15), and one H(16) atom. In the ninth O site, O(9) is bonded in a distorted water-like geometry to one Mg(1), one H(17), and one H(18) atom. Linkers: 4 [O]C(=O)[C]1[N]c2ccccc2/N=C(\C([O])=O)c2ccccc2[N]C(=O)C(=O)[N]c2ccccc21. Metal clusters: 4 [Mg] ,4 [Ni]. The MOF has largest included sphere 3.11 A, density 1.59 g/cm3, surface area 3941.83 m2/g, accessible volume 0.15 cm3/g