Ca2C18NH13O9(CH)2CH2 crystallizes in the monoclinic P2/c space group. The structure consists of eight 02329_fluka molecules and four 02329_fluka molecules inside a Ca2C18NH13O9 framework. In the Ca2C18NH13O9 framework, there are three inequivalent Ca sites. In the first Ca site, Ca(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), one O(6), and one O(8) atom to form distorted edge-sharing CaO7 pentagonal bipyramids. The Ca(1)-O(1) bond length is 2.47 Å. The Ca(1)-O(2) bond length is 2.62 Å. The Ca(1)-O(3) bond length is 2.55 Å. The Ca(1)-O(4) bond length is 2.40 Å. The Ca(1)-O(5) bond length is 2.36 Å. The Ca(1)-O(6) bond length is 2.32 Å. The Ca(1)-O(8) bond length is 2.31 Å. In the second Ca site, Ca(2) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(7) atoms to form edge-sharing CaO6 octahedra. Both Ca(2)-O(1) bond lengths are 2.31 Å. Both Ca(2)-O(3) bond lengths are 2.35 Å. Both Ca(2)-O(7) bond lengths are 2.31 Å. In the third Ca site, Ca(3) is bonded in a 8-coordinate geometry to two equivalent O(2), two equivalent O(5), two equivalent O(6), and two equivalent O(9) atoms. Both Ca(3)-O(2) bond lengths are 2.39 Å. Both Ca(3)-O(5) bond lengths are 2.49 Å. Both Ca(3)-O(6) bond lengths are 2.76 Å. Both Ca(3)-O(9) bond lengths are 2.27 Å. There are eighteen inequivalent C sites. In the first C site, C(14) is bonded in a distorted single-bond geometry to one C(13) and one H(6) atom. The C(14)-C(13) bond length is 1.40 Å. The C(14)-H(6) bond length is 1.09 Å. In the second C site, C(16) is bonded in a distorted single-bond geometry to one C(11) and one H(8) atom. The C(16)-C(11) bond length is 1.40 Å. The C(16)-H(8) bond length is 1.09 Å. In the third C site, C(17) is bonded in a distorted trigonal planar geometry to one C(18), one N(1), and one O(9) atom. The C(17)-C(18) bond length is 1.51 Å. The C(17)-N(1) bond length is 1.34 Å. The C(17)-O(9) bond length is 1.25 Å. In the fourth C site, C(18) is bonded in a distorted water-like geometry to one C(17), one H(10), and one H(9) atom. The C(18)-H(10) bond length is 1.10 Å. The C(18)-H(9) bond length is 1.10 Å. In the fifth C site, C(20) is bonded in a distorted trigonal non-coplanar geometry to one N(1), one H(13), and one H(14) atom. The C(20)-N(1) bond length is 1.46 Å. The C(20)-H(13) bond length is 1.10 Å. The C(20)-H(14) bond length is 1.10 Å. In the sixth C site, C(21) is bonded in a tetrahedral geometry to one N(1), one H(15), one H(16), and one H(17) atom. The C(21)-N(1) bond length is 1.45 Å. The C(21)-H(15) bond length is 1.09 Å. The C(21)-H(16) bond length is 1.10 Å. The C(21)-H(17) bond length is 1.10 Å. In the seventh C site, C(1) is bonded in a distorted bent 120 degrees geometry to one C(3), one O(1), and one O(2) atom. The C(1)-C(3) bond length is 1.50 Å. The C(1)-O(1) bond length is 1.28 Å. The C(1)-O(2) bond length is 1.27 Å. In the eighth C site, C(2) is bonded in a distorted bent 120 degrees geometry to one C(7), one O(3), and one O(4) atom. The C(2)-C(7) bond length is 1.50 Å. The C(2)-O(3) bond length is 1.29 Å. The C(2)-O(4) bond length is 1.27 Å. In the ninth C site, C(3) is bonded in a trigonal planar geometry to one C(1), one C(4), and one C(8) atom. The C(3)-C(4) bond length is 1.40 Å. The C(3)-C(8) bond length is 1.40 Å. In the tenth C site, C(4) is bonded in a distorted single-bond geometry to one C(3) and one H(1) atom. The C(4)-H(1) bond length is 1.09 Å. In the eleventh C site, C(6) is bonded in a distorted single-bond geometry to one C(7) and one H(3) atom. The C(6)-C(7) bond length is 1.40 Å. The C(6)-H(3) bond length is 1.09 Å. In the twelfth C site, C(7) is bonded in a trigonal planar geometry to one C(2), one C(6), and one C(8) atom. The C(7)-C(8) bond length is 1.40 Å. In the thirteenth C site, C(8) is bonded in a distorted single-bond geometry to one C(3), one C(7), and one H(4) atom. The C(8)-H(4) bond length is 1.09 Å. In the fourteenth C site, C(9) is bonded in a distorted bent 120 degrees geometry to one C(11), one O(5), and one O(6) atom. The C(9)-C(11) bond length is 1.49 Å. The C(9)-O(5) bond length is 1.28 Å. The C(9)-O(6) bond length is 1.27 Å. In the fifteenth C site, C(10) is bonded in a distorted bent 120 degrees geometry to one C(13), one O(7), and one O(8) atom. The C(10)-C(13) bond length is 1.51 Å. The C(10)-O(7) bond length is 1.28 Å. The C(10)-O(8) bond length is 1.27 Å. In the sixteenth C site, C(11) is bonded in a trigonal planar geometry to one C(12), one C(16), and one C(9) atom. The C(11)-C(12) bond length is 1.40 Å. In the seventeenth C site, C(12) is bonded in a distorted single-bond geometry to one C(11), one C(13), and one H(5) atom. The C(12)-C(13) bond length is 1.40 Å. The C(12)-H(5) bond length is 1.09 Å. In the eighteenth C site, C(13) is bonded in a trigonal planar geometry to one C(10), one C(12), and one C(14) atom. N(1) is bonded in a trigonal planar geometry to one C(17), one C(20), and one C(21) atom. There are thirteen inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one C(4) atom. In the second H site, H(3) is bonded in a single-bond geometry to one C(6) atom. In the third H site, H(4) is bonded in a single-bond geometry to one C(8) atom. In the fourth H site, H(5) is bonded in a single-bond geometry to one C(12) atom. In the fifth H site, H(6) is bonded in a single-bond geometry to one C(14) atom. In the sixth H site, H(8) is bonded in a single-bond geometry to one C(16) atom. In the seventh H site, H(9) is bonded in a single-bond geometry to one C(18) atom. In the eighth H site, H(10) is bonded in a single-bond geometry to one C(18) atom. In the ninth H site, H(13) is bonded in a single-bond geometry to one C(20) atom. In the tenth H site, H(14) is bonded in a single-bond geometry to one C(20) atom. In the eleventh H site, H(15) is bonded in a single-bond geometry to one C(21) atom. In the twelfth H site, H(16) is bonded in a single-bond geometry to one C(21) atom. In the thirteenth H site, H(17) is bonded in a single-bond geometry to one C(21) atom. There are nine inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one Ca(1), one Ca(2), and one C(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Ca(1), one Ca(3), and one C(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Ca(1), one Ca(2), and one C(2) atom. In the fourth O site, O(4) is bonded in a distorted L-shaped geometry to one Ca(1) and one C(2) atom. In the fifth O site, O(5) is bonded in a distorted T-shaped geometry to one Ca(1), one Ca(3), and one C(9) atom. In the sixth O site, O(6) is bonded in a 2-coordinate geometry to one Ca(1), one Ca(3), and one C(9) atom. In the seventh O site, O(7) is bonded in a distorted bent 150 degrees geometry to one Ca(2) and one C(10) atom. In the eighth O site, O(8) is bonded in a bent 120 degrees geometry to one Ca(1) and one C(10) atom. In the ninth O site, O(9) is bonded in a bent 150 degrees geometry to one Ca(3) and one C(17) atom. Linkers: 8 [O]C(=O)c1cccc(C([O])=O)c1. Metal clusters: 8 [Ca]. The MOF has largest included sphere 4.89 A, density 1.37 g/cm3, surface area 4452.33 m2/g, accessible volume 0.28 cm3/g