CuC22NH12O4(CH)2 crystallizes in the cubic Fm-3m space group. The structure consists of ninety-six 02329_fluka molecules inside a CuC22NH12O4 framework. In the CuC22NH12O4 framework, there are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a distorted square co-planar geometry to four equivalent O(1) atoms. All Cu(1)-O(1) bond lengths are 1.97 Å. In the second Cu site, Cu(2) is bonded in a distorted square co-planar geometry to four equivalent O(2) atoms. All Cu(2)-O(2) bond lengths are 1.96 Å. There are ten inequivalent C sites. In the first C site, C(3) is bonded in a distorted bent 120 degrees geometry to one C(4), one O(1), and one O(2) atom. The C(3)-C(4) bond length is 1.49 Å. The C(3)-O(1) bond length is 1.23 Å. The C(3)-O(2) bond length is 1.27 Å. In the second C site, C(4) is bonded in a trigonal planar geometry to one C(3), one C(5), and one C(9) atom. The C(4)-C(5) bond length is 1.40 Å. The C(4)-C(9) bond length is 1.41 Å. In the third C site, C(5) is bonded in a distorted single-bond geometry to one C(4), one C(6), and one H(3) atom. The C(5)-C(6) bond length is 1.35 Å. The C(5)-H(3) bond length is 0.93 Å. In the fourth C site, C(6) is bonded in a distorted trigonal planar geometry to one C(5), one C(6), and one C(7) atom. The C(6)-C(6) bond length is 1.45 Å. The C(6)-C(7) bond length is 1.43 Å. In the fifth C site, C(7) is bonded in a distorted single-bond geometry to one C(6) and one N(1) atom. The C(7)-N(1) bond length is 1.38 Å. In the sixth C site, C(9) is bonded in a distorted single-bond geometry to one C(4) and one H(5) atom. The C(9)-H(5) bond length is 0.93 Å. In the seventh C site, C(1) is bonded in a 2-coordinate geometry to one C(1), one C(10), one C(2), and one H(1) atom. The C(1)-C(1) bond length is 1.07 Å. The C(1)-C(10) bond length is 1.38 Å. The C(1)-C(2) bond length is 1.43 Å. The C(1)-H(1) bond length is 0.93 Å. In the eighth C site, C(2) is bonded in a 4-coordinate geometry to one C(1), one C(11), one C(2), and one H(2) atom. The C(2)-C(11) bond length is 1.36 Å. The C(2)-C(2) bond length is 1.10 Å. The C(2)-H(2) bond length is 0.93 Å. In the ninth C site, C(10) is bonded in a distorted single-bond geometry to four equivalent C(1) and one N(1) atom. The C(10)-N(1) bond length is 1.47 Å. In the tenth C site, C(11) is bonded in a 5-coordinate geometry to one C(11) and four equivalent C(2) atoms. The C(11)-C(11) bond length is 1.53 Å. N(1) is bonded in a trigonal planar geometry to one C(10) and two equivalent C(7) atoms. There are four inequivalent H sites. In the first H site, H(3) is bonded in a single-bond geometry to one C(5) atom. In the second H site, H(5) is bonded in a single-bond geometry to one C(9) atom. In the third H site, H(1) is bonded in a single-bond geometry to one C(1) atom. In the fourth H site, H(2) is bonded in a single-bond geometry to one C(2) atom. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 120 degrees geometry to one Cu(1) and one C(3) atom. In the second O site, O(2) is bonded in a distorted bent 120 degrees geometry to one Cu(2) and one C(3) atom. Linkers: 5 [C@H]12[C@@H]3[C@@H]4[C@H]1C41[C@@H]4[C@H]5[C@@H]([C@@H]41)C235.[C@H]12[C@@H]3[C@@H]4[C@H]1C41[C@H]4[C@@H]5[C@H]([C@H]41)C235.[O]C(=O)C1=CC2=c3cc(C([O])=O)ccc3=N[C]2C=C1.[O]C(=O)C1=CC=C2N=c3ccc(C([O])=O)cc3=C2[CH]1 ,5 [C@H]12[C@@H]3[C@@H]4[C@H]1C41[C@@H]4[C@H]5[C@@H]([C@@H]41)C235.[C@H]12[C@@H]3[C@@H]4[C@H]1C41[C@@H]4[C@H]5[C@@H]([C@@H]41)C235.[O]C(=O)C1=CC2=c3cc(C([O])=O)ccc3=N[C]2C=C1.[O]C(=O)C1=CC=C2N=c3ccc(C([O])=O)cc3=C2[CH]1 ,3 [C@H]12[C@@H]3[C@@H]4[C@H]1C41[C@@H]4[C@H]5[C@@H]([C@@H]41)C235.[C@H]12[C@@H]3[C@@H]4[C@H]1C41[C@H]4[C@@H]5[C@H]([C@H]41)C235.[O]C(=O)C1=CC=C2N=c3ccc(C([O])=O)cc3=C2[CH]1.[O]C(=O)C1=CC=C2N=c3ccc(C([O])=O)cc3=C2[CH]1 ,1 [C@H]12[C@@H]3[C@@H]4[C@H]1C41[C@@H]4[C@H]5[C@@H]([C@@H]41)C235.[C@H]12[C@@H]3[C@@H]4[C@H]1C41[C@H]4[C@@H]5[C@H]([C@H]41)C235.[O]C(=O)C1=CC2=c3cc(C([O])=O)ccc3=N[C]2C=C1.[O]C(=O)C1=CC2=c3cc(C([O])=O)ccc3=N[C]2C=C1 ,3 [C@H]12[C@@H]3[C@@H]4[C@H]1C41[C@@H]4[C@H]5[C@@H]([C@@H]41)C235.[C@H]12[C@@H]3[C@@H]4[C@H]1C41[C@@H]4[C@H]5[C@@H]([C@@H]41)C235.[O]C(=O)C1=CC=C2N=c3ccc(C([O])=O)cc3=C2[CH]1.[O]C(=O)C1=CC=C2N=c3ccc(C([O])=O)cc3=C2[CH]1 ,4 [C@H]12[C@@H]3[C@@H]4[C@H]1C41[C@@H]4[C@H]5[C@@H]([C@@H]41)C235.[C@H]12[C@@H]3[C@@H]4[C@H]1C41[C@@H]4[C@H]5[C@@H]([C@@H]41)C235.[O]C(=O)C1=CC2=c3cc(C([O])=O)ccc3=N[C]2C=C1.[O]C(=O)C1=CC2=c3cc(C([O])=O)ccc3=N[C]2C=C1 ,1 [C@H]12[C@@H]3[C@@H]4[C@H]1C41[C@@H]4[C@H]5[C@@H]([C@@H]41)C235.[C@H]12[C@@H]3[C@@H]4[C@H]1C41[C@H]4[C@@H]5[C@H]([C@H]41)C235.[O]C(=O)C1=CC2=c3cc(C([O])=O)ccc3=N[C]2C=C1.[O]C(=O)C1=C[C]2C(=Nc3ccc(C([O])=O)cc32)C=C1 ,1 [C@H]12[C@@H]3[C@@H]4[C@H]1C41[C@@H]4[C@H]5[C@@H]([C@@H]41)C235.[C@H]12[C@@H]3[C@@H]4[C@H]1C41[C@@H]4[C@H]5[C@@H]([C@@H]41)C235.[O]C(=O)C1=CC2=c3cc(C([O])=O)ccc3=N[C]2C=C1.[O]C(=O)C1=C[C]2C(=Nc3ccc(C([O])=O)cc32)C=C1 ,1 [C@H]12[C@@H]3[C@@H]4[C@H]1C41[C@@H]4[C@H]5[C@@H]([C@@H]41)C235.[C@H]12[C@@H]3[C@@H]4[C@H]1C41[C@@H]4[C@H]5[C@@H]([C@@H]41)C235.[O]C(=O)C1=CC2=c3cc(C([O])=O)ccc3=N[C]2C=C1.[O]C(=O)C1=C[CH]C2=Nc3ccc(C([O])=O)cc3C2=C1. Metal clusters: 24 [C]1O[Cu]234O[C]O[Cu]2(O1)(O[C]O3)O[C]O4. RCSR code: nbo. The MOF has largest included sphere 24.61 A, density 0.35 g/cm3, surface area 3896.13 m2/g, accessible volume 2.37 cm3/g