Ca3Ce2C30H10(N3O13)2(CH)12 crystallizes in the monoclinic P2/c space group. The structure consists of twenty-four 02329_fluka molecules inside a Ca3Ce2C30H10(N3O13)2 framework. In the Ca3Ce2C30H10(N3O13)2 framework, there are three inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a 6-coordinate geometry to two equivalent H(6), two equivalent O(5), and two equivalent O(6) atoms. Both Ca(1)-H(6) bond lengths are 2.03 Å. Both Ca(1)-O(5) bond lengths are 2.47 Å. Both Ca(1)-O(6) bond lengths are 2.42 Å. In the second Ca site, Ca(2) is bonded in a linear geometry to two equivalent O(12) atoms. Both Ca(2)-O(12) bond lengths are 2.27 Å. In the third Ca site, Ca(3) is bonded in a linear geometry to two equivalent O(10) atoms. Both Ca(3)-O(10) bond lengths are 2.28 Å. Ce(1) is bonded in a 9-coordinate geometry to one N(1), one N(2), one N(3), one O(11), one O(13), one O(4), one O(7), one O(8), and one O(9) atom. The Ce(1)-N(1) bond length is 2.60 Å. The Ce(1)-N(2) bond length is 2.62 Å. The Ce(1)-N(3) bond length is 2.61 Å. The Ce(1)-O(11) bond length is 2.48 Å. The Ce(1)-O(13) bond length is 2.52 Å. The Ce(1)-O(4) bond length is 2.52 Å. The Ce(1)-O(7) bond length is 2.53 Å. The Ce(1)-O(8) bond length is 2.49 Å. The Ce(1)-O(9) bond length is 2.51 Å. There are fifteen inequivalent C sites. In the first C site, C(1) is bonded in a distorted bent 120 degrees geometry to one C(13), one O(3), and one O(4) atom. The C(1)-C(13) bond length is 1.52 Å. The C(1)-O(3) bond length is 1.23 Å. The C(1)-O(4) bond length is 1.28 Å. In the second C site, C(2) is bonded in a distorted bent 120 degrees geometry to one C(20), one O(11), and one O(6) atom. The C(2)-C(20) bond length is 1.51 Å. The C(2)-O(11) bond length is 1.27 Å. The C(2)-O(6) bond length is 1.23 Å. In the third C site, C(3) is bonded in a distorted bent 120 degrees geometry to one O(5) and one O(8) atom. The C(3)-O(5) bond length is 1.24 Å. The C(3)-O(8) bond length is 1.26 Å. In the fourth C site, C(6) is bonded in a distorted single-bond geometry to one N(3) atom. The C(6)-N(3) bond length is 1.34 Å. In the fifth C site, C(8) is bonded in a distorted single-bond geometry to one C(20) and one H(8) atom. The C(8)-C(20) bond length is 1.39 Å. The C(8)-H(8) bond length is 1.04 Å. In the sixth C site, C(9) is bonded in a distorted single-bond geometry to one N(2) atom. The C(9)-N(2) bond length is 1.34 Å. In the seventh C site, C(11) is bonded in a distorted single-bond geometry to one C(19), one C(21), and one N(2) atom. The C(11)-C(19) bond length is 1.39 Å. The C(11)-C(21) bond length is 1.51 Å. The C(11)-N(2) bond length is 1.34 Å. In the eighth C site, C(12) is bonded in a distorted single-bond geometry to one C(13) and one H(10) atom. The C(12)-C(13) bond length is 1.38 Å. The C(12)-H(10) bond length is 1.02 Å. In the ninth C site, C(13) is bonded in a distorted trigonal planar geometry to one C(1), one C(12), and one N(3) atom. The C(13)-N(3) bond length is 1.34 Å. In the tenth C site, C(16) is bonded in a distorted single-bond geometry to one N(1) atom. The C(16)-N(1) bond length is 1.34 Å. In the eleventh C site, C(17) is bonded in a distorted bent 120 degrees geometry to one O(10) and one O(13) atom. The C(17)-O(10) bond length is 1.24 Å. The C(17)-O(13) bond length is 1.26 Å. In the twelfth C site, C(18) is bonded in a distorted bent 120 degrees geometry to one O(12) and one O(9) atom. The C(18)-O(12) bond length is 1.24 Å. The C(18)-O(9) bond length is 1.27 Å. In the thirteenth C site, C(19) is bonded in a distorted single-bond geometry to one C(11) and one H(7) atom. The C(19)-H(7) bond length is 0.98 Å. In the fourteenth C site, C(20) is bonded in a distorted single-bond geometry to one C(2), one C(8), and one N(1) atom. The C(20)-N(1) bond length is 1.33 Å. In the fifteenth C site, C(21) is bonded in a distorted bent 120 degrees geometry to one C(11), one O(2), and one O(7) atom. The C(21)-O(2) bond length is 1.25 Å. The C(21)-O(7) bond length is 1.27 Å. There are three inequivalent N sites. In the first N site, N(1) is bonded in a distorted trigonal planar geometry to one Ce(1), one C(16), and one C(20) atom. In the second N site, N(2) is bonded in a distorted trigonal planar geometry to one Ce(1), one C(11), and one C(9) atom. In the third N site, N(3) is bonded in a distorted trigonal planar geometry to one Ce(1), one C(13), and one C(6) atom. There are five inequivalent H sites. In the first H site, H(3) is bonded in a single-bond geometry to one O(1) atom. The H(3)-O(1) bond length is 0.80 Å. In the second H site, H(6) is bonded in a distorted bent 120 degrees geometry to one Ca(1) and one O(1) atom. The H(6)-O(1) bond length is 0.82 Å. In the third H site, H(7) is bonded in a single-bond geometry to one C(19) atom. In the fourth H site, H(8) is bonded in a single-bond geometry to one C(8) atom. In the fifth H site, H(10) is bonded in a single-bond geometry to one C(12) atom. There are thirteen inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one H(3) and one H(6) atom. In the second O site, O(2) is bonded in a single-bond geometry to one C(21) atom. In the third O site, O(3) is bonded in a single-bond geometry to one C(1) atom. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to one Ce(1) and one C(1) atom. In the fifth O site, O(5) is bonded in a distorted single-bond geometry to one Ca(1) and one C(3) atom. In the sixth O site, O(6) is bonded in a 2-coordinate geometry to one Ca(1) and one C(2) atom. In the seventh O site, O(7) is bonded in a distorted bent 120 degrees geometry to one Ce(1) and one C(21) atom. In the eighth O site, O(8) is bonded in a distorted bent 120 degrees geometry to one Ce(1) and one C(3) atom. In the ninth O site, O(9) is bonded in a distorted bent 120 degrees geometry to one Ce(1) and one C(18) atom. In the tenth O site, O(10) is bonded in a bent 150 degrees geometry to one Ca(3) and one C(17) atom. In the eleventh O site, O(11) is bonded in a distorted bent 120 degrees geometry to one Ce(1) and one C(2) atom. In the twelfth O site, O(12) is bonded in a bent 150 degrees geometry to one Ca(2) and one C(18) atom. In the thirteenth O site, O(13) is bonded in a distorted bent 120 degrees geometry to one Ce(1) and one C(17) atom. Linkers: 4 O ,12 [O]C(=O)c1cccc(C([O])=O)n1. Metal clusters: 6 [Ca] ,4 [Ce]. The MOF has largest included sphere 5.32 A, density 1.35 g/cm3, surface area 3940.22 m2/g, accessible volume 0.27 cm3/g