LaC21H9(NO)6(CH)3 crystallizes in the monoclinic P2_1/c space group. The structure consists of twelve 02329_fluka molecules inside a LaC21H9(NO)6 framework. In the LaC21H9(NO)6 framework, La(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and two equivalent O(6) atoms to form distorted edge-sharing LaO7 pentagonal bipyramids. The La(1)-O(1) bond length is 2.46 Å. The La(1)-O(2) bond length is 2.43 Å. The La(1)-O(3) bond length is 2.42 Å. The La(1)-O(4) bond length is 2.39 Å. The La(1)-O(5) bond length is 2.45 Å. Both La(1)-O(6) bond lengths are 2.56 Å. There are twenty-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(1), and one O(2) atom. The C(1)-C(2) bond length is 1.50 Å. The C(1)-O(1) bond length is 1.27 Å. The C(1)-O(2) bond length is 1.20 Å. In the second 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 1.35 Å. In the third 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 1.38 Å. The C(3)-H(1) bond length is 0.95 Å. In the fourth C site, C(4) is bonded in a trigonal planar geometry to one C(3), one C(5), and one C(8) atom. The C(4)-C(5) bond length is 1.33 Å. The C(4)-C(8) bond length is 1.51 Å. In the fifth 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 0.95 Å. In the sixth C site, C(7) is bonded in a distorted single-bond geometry to one C(2) and one H(4) atom. The C(7)-H(4) bond length is 0.95 Å. In the seventh C site, C(8) is bonded in a distorted bent 120 degrees geometry to one C(4), one N(1), and one N(2) atom. The C(8)-N(1) bond length is 1.34 Å. The C(8)-N(2) bond length is 1.31 Å. In the eighth C site, C(9) is bonded in a distorted bent 120 degrees geometry to one C(10), one O(3), and one O(4) atom. The C(9)-C(10) bond length is 1.55 Å. The C(9)-O(3) bond length is 1.17 Å. The C(9)-O(4) bond length is 1.27 Å. In the ninth C site, C(10) is bonded in a trigonal planar geometry to one C(11), one C(15), and one C(9) atom. The C(10)-C(11) bond length is 1.27 Å. The C(10)-C(15) bond length is 1.42 Å. In the tenth C site, C(11) is bonded in a distorted single-bond geometry to one C(10), one C(12), and one H(5) atom. The C(11)-C(12) bond length is 1.40 Å. The C(11)-H(5) bond length is 0.95 Å. In the eleventh C site, C(12) is bonded in a trigonal planar geometry to one C(11), one C(13), and one C(16) atom. The C(12)-C(13) bond length is 1.42 Å. The C(12)-C(16) bond length is 1.44 Å. In the twelfth C site, C(13) is bonded in a distorted single-bond geometry to one C(12) and one H(6) atom. The C(13)-H(6) bond length is 0.95 Å. In the thirteenth C site, C(15) is bonded in a distorted single-bond geometry to one C(10) and one H(8) atom. The C(15)-H(8) bond length is 0.95 Å. In the fourteenth C site, C(16) is bonded in a distorted trigonal planar geometry to one C(12), one N(3), and one N(6) atom. The C(16)-N(3) bond length is 1.33 Å. The C(16)-N(6) bond length is 1.32 Å. In the fifteenth C site, C(17) is bonded in a distorted trigonal planar geometry to one C(21), one N(4), and one N(5) atom. The C(17)-C(21) bond length is 1.47 Å. The C(17)-N(4) bond length is 1.32 Å. The C(17)-N(5) bond length is 1.36 Å. In the sixteenth C site, C(18) is bonded in a distorted bent 120 degrees geometry to one C(19), one O(5), and one O(6) atom. The C(18)-C(19) bond length is 1.56 Å. The C(18)-O(5) bond length is 1.20 Å. The C(18)-O(6) bond length is 1.26 Å. In the seventeenth C site, C(19) is bonded in a trigonal planar geometry to one C(18), one C(20), and one C(24) atom. The C(19)-C(20) bond length is 1.36 Å. The C(19)-C(24) bond length is 1.39 Å. In the eighteenth C site, C(20) is bonded in a distorted single-bond geometry to one C(19), one C(21), and one H(9) atom. The C(20)-C(21) bond length is 1.41 Å. The C(20)-H(9) bond length is 0.95 Å. In the nineteenth C site, C(21) is bonded in a trigonal planar geometry to one C(17), one C(20), and one C(22) atom. The C(21)-C(22) bond length is 1.35 Å. In the twentieth C site, C(22) is bonded in a distorted single-bond geometry to one C(21) and one H(10) atom. The C(22)-H(10) bond length is 0.95 Å. In the twenty-first C site, C(24) is bonded in a distorted single-bond geometry to one C(19) and one H(12) atom. The C(24)-H(12) bond length is 0.95 Å. There are six inequivalent N sites. In the first N site, N(1) is bonded in a single-bond geometry to one C(8) atom. In the second N site, N(2) is bonded in a single-bond geometry to one C(8) atom. In the third N site, N(3) is bonded in a single-bond geometry to one C(16) atom. In the fourth N site, N(4) is bonded in a single-bond geometry to one C(17) atom. In the fifth N site, N(5) is bonded in a distorted bent 120 degrees geometry to one C(17) and one N(6) atom. The N(5)-N(6) bond length is 1.27 Å. In the sixth N site, N(6) is bonded in a distorted bent 120 degrees geometry to one C(16) and one N(5) atom. There are nine 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(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(11) atom. In the fifth H site, H(6) is bonded in a single-bond geometry to one C(13) atom. In the sixth H site, H(8) is bonded in a single-bond geometry to one C(15) atom. In the seventh H site, H(9) is bonded in a single-bond geometry to one C(20) atom. In the eighth H site, H(10) 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(24) atom. There are six inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one La(1) and one C(1) atom. In the second O site, O(2) is bonded in a 2-coordinate geometry to one La(1) and one C(1) atom. In the third O site, O(3) is bonded in a 2-coordinate geometry to one La(1) and one C(9) atom. In the fourth O site, O(4) is bonded in a distorted linear geometry to one La(1) and one C(9) atom. In the fifth O site, O(5) is bonded in a distorted bent 150 degrees geometry to one La(1) and one C(18) atom. In the sixth O site, O(6) is bonded in a distorted single-bond geometry to two equivalent La(1) and one C(18) atom. Linkers: 2 [O]C(=O)c1cccc(C2=N[N]C(c3cccc(C([O])=O)c3)=N[N]2)c1 ,4 [O]C(=O)c1cccc(-c2nnc(-c3cccc(C([O])=O)c3)nn2)c1 ,4 [O]C(=O)c1[c][c]cc(-c2nnc(-c3cccc(C([O])=O)c3)nn2)c1. Metal clusters: 4 [La]. The MOF has largest included sphere 4.39 A, density 1.64 g/cm3, surface area 3535.76 m2/g, accessible volume 0.20 cm3/g