Ca3Sm2C36H36(NO6)6(CH)6 crystallizes in the monoclinic P2/c space group. The structure consists of twelve 02329_fluka molecules inside a Ca3Sm2C36H36(NO6)6 framework. In the Ca3Sm2C36H36(NO6)6 framework, there are three inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in an octahedral geometry to two equivalent O(13), two equivalent O(14), and two equivalent O(2) atoms. Both Ca(1)-O(13) bond lengths are 2.38 Å. Both Ca(1)-O(14) bond lengths are 2.36 Å. Both Ca(1)-O(2) bond lengths are 2.31 Å. In the second Ca site, Ca(2) is bonded in an octahedral geometry to two equivalent O(15), two equivalent O(16), and two equivalent O(6) atoms. Both Ca(2)-O(15) bond lengths are 2.37 Å. Both Ca(2)-O(16) bond lengths are 2.41 Å. Both Ca(2)-O(6) bond lengths are 2.28 Å. In the third Ca site, Ca(3) is bonded in a 8-coordinate geometry to two equivalent O(10), two equivalent O(17), two equivalent O(18), and two equivalent O(4) atoms. Both Ca(3)-O(10) bond lengths are 2.48 Å. Both Ca(3)-O(17) bond lengths are 2.49 Å. Both Ca(3)-O(18) bond lengths are 2.49 Å. Both Ca(3)-O(4) bond lengths are 2.50 Å. Sm(1) is bonded in a 9-coordinate geometry to one N(1), one N(2), one N(3), one O(1), one O(11), one O(3), one O(5), one O(7), and one O(9) atom. The Sm(1)-N(1) bond length is 2.54 Å. The Sm(1)-N(2) bond length is 2.55 Å. The Sm(1)-N(3) bond length is 2.56 Å. The Sm(1)-O(1) bond length is 2.44 Å. The Sm(1)-O(11) bond length is 2.53 Å. The Sm(1)-O(3) bond length is 2.46 Å. The Sm(1)-O(5) bond length is 2.44 Å. The Sm(1)-O(7) bond length is 2.53 Å. The Sm(1)-O(9) bond length is 2.44 Å. There are eighteen inequivalent C sites. In the first C site, C(11) is bonded in a distorted single-bond geometry to one C(12) and one H(6) atom. The C(11)-C(12) bond length is 1.40 Å. The C(11)-H(6) bond length is 1.09 Å. In the second C site, C(12) is bonded in a distorted trigonal planar geometry to one C(11), one C(14), and one N(2) atom. The C(12)-C(14) bond length is 1.51 Å. The C(12)-N(2) bond length is 1.34 Å. In the third C site, C(13) is bonded in a distorted bent 120 degrees geometry to one O(5) and one O(6) atom. The C(13)-O(5) bond length is 1.27 Å. The C(13)-O(6) bond length is 1.26 Å. In the fourth C site, C(14) is bonded in a distorted bent 120 degrees geometry to one C(12), one O(7), and one O(8) atom. The C(14)-O(7) bond length is 1.29 Å. The C(14)-O(8) bond length is 1.25 Å. In the fifth C site, C(15) is bonded in a distorted single-bond geometry to one C(16) and one N(3) atom. The C(15)-C(16) bond length is 1.40 Å. The C(15)-N(3) bond length is 1.34 Å. In the sixth C site, C(16) is bonded in a distorted trigonal planar geometry to one C(15), one C(17), and one H(15) atom. The C(16)-C(17) bond length is 1.40 Å. The C(16)-H(15) bond length is 1.09 Å. In the seventh C site, C(17) is bonded in a distorted trigonal planar geometry to one C(16), one C(18), and one H(16) atom. The C(17)-C(18) bond length is 1.39 Å. The C(17)-H(16) bond length is 1.09 Å. In the eighth C site, C(18) is bonded in a distorted trigonal planar geometry to one C(17), one C(19), and one H(21) atom. The C(18)-C(19) bond length is 1.40 Å. The C(18)-H(21) bond length is 1.09 Å. In the ninth C site, C(19) is bonded in a distorted trigonal planar geometry to one C(18), one C(21), and one N(3) atom. The C(19)-C(21) bond length is 1.51 Å. The C(19)-N(3) bond length is 1.34 Å. In the tenth C site, C(20) is bonded in a distorted bent 120 degrees geometry to one O(10) and one O(9) atom. The C(20)-O(10) bond length is 1.25 Å. The C(20)-O(9) bond length is 1.29 Å. In the eleventh C site, C(21) is bonded in a distorted bent 120 degrees geometry to one C(19), one O(11), and one O(12) atom. The C(21)-O(11) bond length is 1.29 Å. The C(21)-O(12) bond length is 1.26 Å. In the twelfth C site, C(1) is bonded in a distorted trigonal planar geometry to one C(2), one C(6), and one N(1) atom. The C(1)-C(2) bond length is 1.40 Å. The C(1)-C(6) bond length is 1.52 Å. The C(1)-N(1) bond length is 1.34 Å. In the thirteenth C site, C(2) is bonded in a distorted single-bond geometry to one C(1) and one H(1) atom. The C(2)-H(1) bond length is 1.09 Å. In the fourteenth C site, C(4) is bonded in a distorted single-bond geometry to one C(5) and one H(3) atom. The C(4)-C(5) bond length is 1.39 Å. The C(4)-H(3) bond length is 1.09 Å. In the fifteenth C site, C(5) is bonded in a distorted trigonal planar geometry to one C(4), one C(7), and one N(1) atom. The C(5)-C(7) bond length is 1.51 Å. The C(5)-N(1) bond length is 1.34 Å. In the sixteenth C site, C(6) is bonded in a distorted bent 120 degrees geometry to one C(1), one O(1), and one O(2) atom. The C(6)-O(1) bond length is 1.27 Å. The C(6)-O(2) bond length is 1.26 Å. In the seventeenth C site, C(7) is bonded in a distorted bent 120 degrees geometry to one C(5), one O(3), and one O(4) atom. The C(7)-O(3) bond length is 1.28 Å. The C(7)-O(4) bond length is 1.26 Å. In the eighteenth C site, C(8) is bonded in a distorted single-bond geometry to one N(2) atom. The C(8)-N(2) bond length is 1.34 Å. There are three inequivalent N sites. In the first N site, N(1) is bonded in a distorted trigonal planar geometry to one Sm(1), one C(1), and one C(5) atom. In the second N site, N(2) is bonded in a distorted trigonal planar geometry to one Sm(1), one C(12), and one C(8) atom. In the third N site, N(3) is bonded in a distorted trigonal planar geometry to one Sm(1), one C(15), and one C(19) atom. There are eighteen inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one C(2) atom. In the second H site, H(3) is bonded in a single-bond geometry to one C(4) atom. In the third H site, H(6) is bonded in a single-bond geometry to one C(11) atom. In the fourth H site, H(7) is bonded in a single-bond geometry to one O(13) atom. The H(7)-O(13) bond length is 0.99 Å. In the fifth H site, H(8) is bonded in a single-bond geometry to one O(13) atom. The H(8)-O(13) bond length is 0.98 Å. In the sixth H site, H(9) is bonded in a linear geometry to one O(14) and one O(7) atom. The H(9)-O(14) bond length is 1.01 Å. The H(9)-O(7) bond length is 1.61 Å. In the seventh H site, H(10) is bonded in a single-bond geometry to one O(14) atom. The H(10)-O(14) bond length is 0.98 Å. In the eighth H site, H(11) is bonded in a single-bond geometry to one O(15) atom. The H(11)-O(15) bond length is 0.97 Å. In the ninth H site, H(12) is bonded in a distorted single-bond geometry to one O(11) and one O(15) atom. The H(12)-O(11) bond length is 1.67 Å. The H(12)-O(15) bond length is 1.01 Å. In the tenth H site, H(13) is bonded in a distorted single-bond geometry to one O(16) atom. The H(13)-O(16) bond length is 1.00 Å. In the eleventh H site, H(14) is bonded in a single-bond geometry to one O(16) atom. The H(14)-O(16) bond length is 0.97 Å. In the twelfth H site, H(15) is bonded in a single-bond geometry to one C(16) atom. In the thirteenth H site, H(16) is bonded in a single-bond geometry to one C(17) atom. In the fourteenth H site, H(17) is bonded in a distorted single-bond geometry to one O(17) and one O(9) atom. The H(17)-O(17) bond length is 1.00 Å. The H(17)-O(9) bond length is 1.66 Å. In the fifteenth H site, H(18) is bonded in a single-bond geometry to one O(17) atom. The H(18)-O(17) bond length is 0.98 Å. In the sixteenth H site, H(19) is bonded in a single-bond geometry to one O(18) and one O(3) atom. The H(19)-O(18) bond length is 1.00 Å. The H(19)-O(3) bond length is 1.73 Å. In the seventeenth H site, H(20) is bonded in a single-bond geometry to one O(18) atom. The H(20)-O(18) bond length is 0.97 Å. In the eighteenth H site, H(21) is bonded in a single-bond geometry to one C(18) atom. There are eighteen inequivalent O sites. In the first O site, O(18) is bonded in a distorted water-like geometry to one Ca(3), one H(19), and one H(20) atom. In the second O site, O(1) is bonded in a distorted bent 120 degrees geometry to one Sm(1) and one C(6) atom. In the third O site, O(2) is bonded in a bent 150 degrees geometry to one Ca(1) and one C(6) atom. In the fourth O site, O(3) is bonded in a distorted single-bond geometry to one Sm(1), one C(7), and one H(19) atom. In the fifth O site, O(4) is bonded in a distorted single-bond geometry to one Ca(3) and one C(7) atom. In the sixth O site, O(5) is bonded in a distorted bent 120 degrees geometry to one Sm(1) and one C(13) atom. In the seventh O site, O(6) is bonded in a distorted bent 150 degrees geometry to one Ca(2) and one C(13) atom. In the eighth O site, O(7) is bonded in a distorted trigonal planar geometry to one Sm(1), one C(14), and one H(9) atom. In the ninth O site, O(8) is bonded in a single-bond geometry to one C(14) atom. In the tenth O site, O(9) is bonded in a distorted trigonal planar geometry to one Sm(1), one C(20), and one H(17) atom. In the eleventh O site, O(10) is bonded in a distorted single-bond geometry to one Ca(3) and one C(20) atom. In the twelfth O site, O(11) is bonded in a distorted trigonal planar geometry to one Sm(1), one C(21), and one H(12) atom. In the thirteenth O site, O(12) is bonded in a distorted single-bond geometry to one C(21) atom. In the fourteenth O site, O(16) is bonded in a distorted trigonal non-coplanar geometry to one Ca(2), one H(13), and one H(14) atom. In the fifteenth O site, O(13) is bonded in a distorted trigonal non-coplanar geometry to one Ca(1), one H(7), and one H(8) atom. In the sixteenth O site, O(14) is bonded in a distorted water-like geometry to one Ca(1), one H(10), and one H(9) atom. In the seventeenth O site, O(15) is bonded in a distorted water-like geometry to one Ca(2), one H(11), and one H(12) atom. In the eighteenth O site, O(17) is bonded in a water-like geometry to one Ca(3), one H(17), and one H(18) atom. Linkers: 12 [O]C(=O)c1cccc(C([O])=O)n1. Metal clusters: 6 [Ca] ,4 [Sm]. The MOF has largest included sphere 4.16 A, density 1.67 g/cm3, surface area 3635.97 m2/g, accessible volume 0.14 cm3/g