CaC19H21(NO2)4CH crystallizes in the monoclinic Cc space group. The structure consists of four 02329_fluka molecules inside a CaC19H21(NO2)4 framework. In the CaC19H21(NO2)4 framework, Ca(1) is bonded in an octahedral geometry to one O(1), one O(2), one O(3), one O(5), one O(7), and one O(8) atom. The Ca(1)-O(1) bond length is 2.36 Å. The Ca(1)-O(2) bond length is 2.38 Å. The Ca(1)-O(3) bond length is 2.29 Å. The Ca(1)-O(5) bond length is 2.31 Å. The Ca(1)-O(7) bond length is 2.39 Å. The Ca(1)-O(8) bond length is 2.37 Å. There are nineteen inequivalent C sites. In the first C site, C(19) is bonded to one N(3), one H(17), one H(18), and one H(19) atom to form corner-sharing CH3N tetrahedra. The C(19)-N(3) bond length is 1.45 Å. The C(19)-H(17) bond length is 1.09 Å. The C(19)-H(18) bond length is 1.10 Å. The C(19)-H(19) bond length is 1.10 Å. In the second C site, C(20) is bonded to one N(3), one H(20), one H(21), and one H(22) atom to form corner-sharing CH3N tetrahedra. The C(20)-N(3) bond length is 1.46 Å. The C(20)-H(20) bond length is 1.10 Å. The C(20)-H(21) bond length is 1.10 Å. The C(20)-H(22) bond length is 1.09 Å. In the third C site, C(1) is bonded in a distorted bent 120 degrees geometry to one C(3), one O(2), and one O(5) atom. The C(1)-C(3) bond length is 1.49 Å. The C(1)-O(2) bond length is 1.30 Å. The C(1)-O(5) bond length is 1.26 Å. In the fourth C site, C(2) is bonded in a distorted bent 120 degrees geometry to one C(4), one O(1), and one O(3) atom. The C(2)-C(4) bond length is 1.49 Å. The C(2)-O(1) bond length is 1.30 Å. The C(2)-O(3) bond length is 1.26 Å. In the fifth C site, C(3) is bonded in a trigonal planar geometry to one C(1), one C(6), and one C(7) atom. The C(3)-C(6) bond length is 1.40 Å. The C(3)-C(7) bond length is 1.42 Å. In the sixth C site, C(4) is bonded in a trigonal planar geometry to one C(2), one C(5), and one C(8) atom. The C(4)-C(5) bond length is 1.40 Å. The C(4)-C(8) bond length is 1.42 Å. In the seventh C site, C(5) is bonded in a distorted single-bond geometry to one C(4), one C(9), and one H(3) atom. The C(5)-C(9) bond length is 1.40 Å. The C(5)-H(3) bond length is 1.09 Å. In the eighth C site, C(6) is bonded in a distorted single-bond geometry to one C(11), one C(3), and one H(4) atom. The C(6)-C(11) bond length is 1.40 Å. The C(6)-H(4) bond length is 1.09 Å. In the ninth C site, C(7) is bonded in a distorted single-bond geometry to one C(3) and one O(4) atom. The C(7)-O(4) bond length is 1.34 Å. In the tenth C site, C(8) is bonded in a distorted single-bond geometry to one C(4) and one O(6) atom. The C(8)-O(6) bond length is 1.34 Å. In the eleventh C site, C(9) is bonded in a distorted trigonal planar geometry to one C(10), one C(5), and one N(1) atom. The C(9)-C(10) bond length is 1.42 Å. The C(9)-N(1) bond length is 1.41 Å. In the twelfth C site, C(10) is bonded in a distorted single-bond geometry to one C(9) and one H(5) atom. The C(10)-H(5) bond length is 1.09 Å. In the thirteenth C site, C(11) is bonded in a distorted trigonal planar geometry to one C(13), one C(6), and one N(2) atom. The C(11)-C(13) bond length is 1.42 Å. The C(11)-N(2) bond length is 1.40 Å. In the fourteenth C site, C(13) is bonded in a distorted trigonal planar geometry to one C(11), one C(14), and one H(7) atom. The C(13)-C(14) bond length is 1.38 Å. The C(13)-H(7) bond length is 1.09 Å. In the fifteenth C site, C(14) is bonded in a distorted single-bond geometry to one C(13) and one H(8) atom. The C(14)-H(8) bond length is 1.09 Å. In the sixteenth C site, C(15) is bonded in a trigonal planar geometry to one N(3), one H(9), and one O(7) atom. The C(15)-N(3) bond length is 1.34 Å. The C(15)-H(9) bond length is 1.10 Å. The C(15)-O(7) bond length is 1.26 Å. In the seventeenth C site, C(16) is bonded in a trigonal planar geometry to one N(4), one H(10), and one O(8) atom. The C(16)-N(4) bond length is 1.33 Å. The C(16)-H(10) bond length is 1.10 Å. The C(16)-O(8) bond length is 1.26 Å. In the eighteenth C site, C(17) is bonded to one N(4), one H(11), one H(12), and one H(13) atom to form corner-sharing CH3N tetrahedra. The C(17)-N(4) bond length is 1.45 Å. The C(17)-H(11) bond length is 1.10 Å. The C(17)-H(12) bond length is 1.10 Å. The C(17)-H(13) bond length is 1.09 Å. In the nineteenth C site, C(18) is bonded to one N(4), one H(14), one H(15), and one H(16) atom to form corner-sharing CH3N tetrahedra. The C(18)-N(4) bond length is 1.45 Å. The C(18)-H(14) bond length is 1.10 Å. The C(18)-H(15) bond length is 1.09 Å. The C(18)-H(16) bond length is 1.09 Å. There are four inequivalent N sites. In the first N site, N(1) is bonded in a bent 120 degrees geometry to one C(9) and one N(2) atom. The N(1)-N(2) bond length is 1.27 Å. In the second N site, N(2) is bonded in a distorted bent 120 degrees geometry to one C(11) and one N(1) atom. In the third N site, N(3) is bonded in a trigonal planar geometry to one C(15), one C(19), and one C(20) atom. In the fourth N site, N(4) is bonded in a trigonal planar geometry to one C(16), one C(17), and one C(18) atom. There are twenty-one inequivalent H sites. In the first H site, H(1) is bonded in a bent 150 degrees geometry to one O(2) and one O(4) atom. The H(1)-O(2) bond length is 1.54 Å. The H(1)-O(4) bond length is 1.03 Å. In the second H site, H(2) is bonded in a bent 150 degrees geometry to one O(1) and one O(6) atom. The H(2)-O(1) bond length is 1.55 Å. The H(2)-O(6) bond length is 1.03 Å. In the third H site, H(3) is bonded in a single-bond geometry to one C(5) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one C(6) atom. In the fifth H site, H(5) is bonded in a single-bond geometry to one C(10) atom. In the sixth H site, H(7) is bonded in a single-bond geometry to one C(13) atom. In the seventh H site, H(8) is bonded in a single-bond geometry to one C(14) atom. In the eighth H site, H(9) is bonded in a single-bond geometry to one C(15) atom. In the ninth H site, H(10) is bonded in a single-bond geometry to one C(16) atom. In the tenth H site, H(11) is bonded in a single-bond geometry to one C(17) atom. In the eleventh H site, H(12) is bonded in a single-bond geometry to one C(17) atom. In the twelfth H site, H(13) is bonded in a single-bond geometry to one C(17) atom. In the thirteenth H site, H(14) is bonded in a single-bond geometry to one C(18) atom. In the fourteenth H site, H(15) is bonded in a single-bond geometry to one C(18) atom. In the fifteenth H site, H(16) is bonded in a single-bond geometry to one C(18) atom. In the sixteenth H site, H(17) is bonded in a single-bond geometry to one C(19) atom. In the seventeenth H site, H(18) is bonded in a single-bond geometry to one C(19) atom. In the eighteenth H site, H(19) is bonded in a single-bond geometry to one C(19) atom. In the nineteenth H site, H(20) is bonded in a single-bond geometry to one C(20) atom. In the twentieth H site, H(21) is bonded in a single-bond geometry to one C(20) atom. In the twenty-first H site, H(22) is bonded in a single-bond geometry to one C(20) atom. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Ca(1), one C(2), and one H(2) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Ca(1), one C(1), and one H(1) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Ca(1) and one C(2) atom. In the fourth O site, O(4) is bonded in a water-like geometry to one C(7) and one H(1) atom. In the fifth O site, O(5) is bonded in a distorted bent 150 degrees geometry to one Ca(1) and one C(1) atom. In the sixth O site, O(6) is bonded in a water-like geometry to one C(8) and one H(2) atom. In the seventh O site, O(7) is bonded in a bent 120 degrees geometry to one Ca(1) and one C(15) atom. In the eighth O site, O(8) is bonded in a bent 120 degrees geometry to one Ca(1) and one C(16) atom. Linkers: 2 [O]C(=O)c1cc([N][N]c2ccc(O)c(C([O])=O)c2)ccc1O. Metal clusters: 2 [Ca]. The MOF has largest included sphere 2.27 A, density 1.43 g/cm3, surface area 5179.85 m2/g, accessible volume 0.14 cm3/g