CeMo2C6NH2O8CH crystallizes in the triclinic P-1 space group. The structure consists of four 02329_fluka molecules inside a CeMo2C6NH2O8 framework. In the CeMo2C6NH2O8 framework, there are two inequivalent Ce sites. In the first Ce site, Ce(1) is bonded in a 9-coordinate geometry to one N(1), one O(1), one O(11), one O(16), one O(4), one O(6), one O(8), and two equivalent O(3) atoms. The Ce(1)-N(1) bond length is 2.70 Å. The Ce(1)-O(1) bond length is 2.56 Å. The Ce(1)-O(11) bond length is 2.51 Å. The Ce(1)-O(16) bond length is 2.65 Å. The Ce(1)-O(4) bond length is 2.82 Å. The Ce(1)-O(6) bond length is 2.54 Å. The Ce(1)-O(8) bond length is 2.43 Å. There is one shorter (2.58 Å) and one longer (2.60 Å) Ce(1)-O(3) bond length. In the second Ce site, Ce(2) is bonded in a 5-coordinate geometry to one N(2), one O(1), one O(2), one O(5), and one O(7) atom. The Ce(2)-N(2) bond length is 2.62 Å. The Ce(2)-O(1) bond length is 3.24 Å. The Ce(2)-O(2) bond length is 2.51 Å. The Ce(2)-O(5) bond length is 2.51 Å. The Ce(2)-O(7) bond length is 2.50 Å. There are four inequivalent Mo sites. In the first Mo site, Mo(1) is bonded in a 5-coordinate geometry to one O(10), one O(11), one O(14), one O(15), and one O(9) atom. The Mo(1)-O(10) bond length is 1.89 Å. The Mo(1)-O(11) bond length is 1.71 Å. The Mo(1)-O(14) bond length is 1.97 Å. The Mo(1)-O(15) bond length is 2.35 Å. The Mo(1)-O(9) bond length is 2.26 Å. In the second Mo site, Mo(2) is bonded in a 4-coordinate geometry to one O(10), one O(12), one O(13), and one O(9) atom. The Mo(2)-O(10) bond length is 1.92 Å. The Mo(2)-O(12) bond length is 1.91 Å. The Mo(2)-O(13) bond length is 2.30 Å. The Mo(2)-O(9) bond length is 2.46 Å. In the third Mo site, Mo(3) is bonded in a 5-coordinate geometry to one O(12), one O(14), one O(15), one O(16), and one O(9) atom. The Mo(3)-O(12) bond length is 1.90 Å. The Mo(3)-O(14) bond length is 2.34 Å. The Mo(3)-O(15) bond length is 1.99 Å. The Mo(3)-O(16) bond length is 1.72 Å. The Mo(3)-O(9) bond length is 2.33 Å. In the fourth Mo site, Mo(4) is bonded in a 5-coordinate geometry to one O(13), one O(14), one O(15), and two equivalent O(9) atoms. The Mo(4)-O(13) bond length is 1.75 Å. The Mo(4)-O(14) bond length is 1.95 Å. The Mo(4)-O(15) bond length is 1.93 Å. There is one shorter (2.18 Å) and one longer (2.40 Å) Mo(4)-O(9) bond length. There are twelve 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(1), and one O(2) atom. The C(1)-C(2) bond length is 1.52 Å. The C(1)-O(1) bond length is 1.25 Å. The C(1)-O(2) bond length is 1.25 Å. In the second C site, C(2) is bonded in a distorted trigonal planar geometry to one C(1), one C(3), and one N(1) atom. The C(2)-C(3) bond length is 1.38 Å. The C(2)-N(1) bond length is 1.35 Å. In the third C site, C(3) is bonded in a distorted single-bond geometry to one C(2) and one H(1) atom. The C(3)-H(1) bond length is 0.93 Å. In the fourth C site, C(5) is bonded in a distorted single-bond geometry to one C(6) and one H(3) atom. The C(5)-C(6) bond length is 1.38 Å. The C(5)-H(3) bond length is 0.93 Å. In the fifth C site, C(6) is bonded in a distorted trigonal planar geometry to one C(5), one C(7), and one N(1) atom. The C(6)-C(7) bond length is 1.47 Å. The C(6)-N(1) bond length is 1.35 Å. In the sixth C site, C(7) is bonded in a bent 120 degrees geometry to one C(6), one O(3), and one O(4) atom. The C(7)-O(3) bond length is 1.29 Å. The C(7)-O(4) bond length is 1.24 Å. In the seventh C site, C(8) is bonded in a distorted bent 120 degrees geometry to one C(9), one O(5), and one O(6) atom. The C(8)-C(9) bond length is 1.51 Å. The C(8)-O(5) bond length is 1.26 Å. The C(8)-O(6) bond length is 1.24 Å. In the eighth C site, C(9) is bonded in a distorted trigonal planar geometry to one C(10), one C(8), and one N(2) atom. The C(9)-C(10) bond length is 1.40 Å. The C(9)-N(2) bond length is 1.31 Å. In the ninth C site, C(10) is bonded in a distorted single-bond geometry to one C(9) and one H(4) atom. The C(10)-H(4) bond length is 0.93 Å. In the tenth C site, C(12) is bonded in a distorted single-bond geometry to one C(13) and one H(6) atom. The C(12)-C(13) bond length is 1.38 Å. The C(12)-H(6) bond length is 0.93 Å. In the eleventh C site, C(13) is bonded in a distorted trigonal planar geometry to one C(12), one C(14), and one N(2) atom. The C(13)-C(14) bond length is 1.51 Å. The C(13)-N(2) bond length is 1.34 Å. In the twelfth C site, C(14) is bonded in a distorted bent 120 degrees geometry to one C(13), one O(7), and one O(8) atom. The C(14)-O(7) bond length is 1.25 Å. The C(14)-O(8) bond length is 1.24 Å. There are two inequivalent N sites. In the first N site, N(1) is bonded in a distorted bent 120 degrees geometry to one Ce(1), one C(2), and one C(6) atom. In the second N site, N(2) is bonded in a distorted trigonal planar geometry to one Ce(2), one C(13), and one C(9) atom. There are four 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(3) 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(10) atom. In the fourth H site, H(6) is bonded in a single-bond geometry to one C(12) atom. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one Ce(1), one Ce(2), and one C(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to one Ce(2) and one C(1) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to two equivalent Ce(1) and one C(7) atom. In the fourth O site, O(4) is bonded in a single-bond geometry to one Ce(1) and one C(7) atom. In the fifth O site, O(5) is bonded in a distorted bent 120 degrees geometry to one Ce(2) and one C(8) atom. In the sixth O site, O(6) is bonded in a distorted linear geometry to one Ce(1) and one C(8) atom. In the seventh O site, O(7) is bonded in a distorted bent 120 degrees geometry to one Ce(2) and one C(14) atom. In the eighth O site, O(8) is bonded in a distorted bent 150 degrees geometry to one Ce(1) and one C(14) atom. In the ninth O site, O(9) is bonded to one Mo(1), one Mo(2), one Mo(3), and two equivalent Mo(4) atoms to form distorted edge-sharing OMo5 square pyramids. In the tenth O site, O(10) is bonded in a bent 120 degrees geometry to one Mo(1) and one Mo(2) atom. In the eleventh O site, O(11) is bonded in a bent 150 degrees geometry to one Ce(1) and one Mo(1) atom. In the twelfth O site, O(12) is bonded in a bent 120 degrees geometry to one Mo(2) and one Mo(3) atom. In the thirteenth O site, O(13) is bonded in a distorted single-bond geometry to one Mo(2) and one Mo(4) atom. In the fourteenth O site, O(14) is bonded in a trigonal non-coplanar geometry to one Mo(1), one Mo(3), and one Mo(4) atom. In the fifteenth O site, O(15) is bonded in a trigonal non-coplanar geometry to one Mo(1), one Mo(3), and one Mo(4) atom. In the sixteenth O site, O(16) is bonded in a distorted bent 150 degrees geometry to one Ce(1) and one Mo(3) atom. Linkers: 4 [O]C(=O)c1cccc(C([O])=O)n1. Metal clusters: 4 [Ce] ,8 [Mo]. The MOF has largest included sphere 6.22 A, density 2.12 g/cm3, surface area 2188.99 m2/g, accessible volume 0.21 cm3/g