Ca3H6(CO2)8(CH2)4 crystallizes in the triclinic P-1 space group. The structure consists of eight 02329_fluka molecules inside a Ca3H6(CO2)8 framework. In the Ca3H6(CO2)8 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(4), two equivalent O(12), and two equivalent O(3) atoms to form distorted edge-sharing CaO7 pentagonal bipyramids. The Ca(1)-O(1) bond length is 2.46 Å. The Ca(1)-O(2) bond length is 2.41 Å. The Ca(1)-O(4) bond length is 2.38 Å. There is one shorter (2.39 Å) and one longer (2.42 Å) Ca(1)-O(12) bond length. There is one shorter (2.38 Å) and one longer (2.50 Å) Ca(1)-O(3) bond length. In the second Ca site, Ca(2) is bonded in a 8-coordinate geometry to one O(11), one O(14), one O(15), one O(16), one O(5), one O(7), and two equivalent O(10) atoms. The Ca(2)-O(11) bond length is 2.48 Å. The Ca(2)-O(14) bond length is 2.51 Å. The Ca(2)-O(15) bond length is 2.37 Å. The Ca(2)-O(16) bond length is 2.53 Å. The Ca(2)-O(5) bond length is 2.33 Å. The Ca(2)-O(7) bond length is 2.41 Å. There is one shorter (2.39 Å) and one longer (2.76 Å) Ca(2)-O(10) bond length. In the third Ca site, Ca(3) is bonded in a 8-coordinate geometry to one O(11), one O(14), one O(5), one O(7), one O(8), one O(9), and two equivalent O(6) atoms. The Ca(3)-O(11) bond length is 2.36 Å. The Ca(3)-O(14) bond length is 2.47 Å. The Ca(3)-O(5) bond length is 2.52 Å. The Ca(3)-O(7) bond length is 2.49 Å. The Ca(3)-O(8) bond length is 2.37 Å. The Ca(3)-O(9) bond length is 2.46 Å. There is one shorter (2.41 Å) and one longer (2.71 Å) Ca(3)-O(6) bond length. There are eight inequivalent C sites. In the first C site, C(1) is bonded in a distorted bent 120 degrees geometry to one O(1) and one O(3) atom. The C(1)-O(1) bond length is 1.28 Å. The C(1)-O(3) bond length is 1.28 Å. In the second C site, C(3) is bonded in a distorted single-bond geometry to one O(9) atom. The C(3)-O(9) bond length is 1.44 Å. In the third C site, C(5) is bonded in a distorted bent 120 degrees geometry to one O(5) and one O(6) atom. The C(5)-O(5) bond length is 1.28 Å. The C(5)-O(6) bond length is 1.27 Å. In the fourth C site, C(6) is bonded in a distorted bent 120 degrees geometry to one O(7) and one O(8) atom. The C(6)-O(7) bond length is 1.27 Å. The C(6)-O(8) bond length is 1.26 Å. In the fifth C site, C(7) is bonded in a distorted bent 120 degrees geometry to one O(10) and one O(11) atom. The C(7)-O(10) bond length is 1.27 Å. The C(7)-O(11) bond length is 1.28 Å. In the sixth C site, C(9) is bonded in a distorted single-bond geometry to one O(16) atom. The C(9)-O(16) bond length is 1.45 Å. In the seventh C site, C(11) is bonded in a distorted bent 120 degrees geometry to one O(12) and one O(13) atom. The C(11)-O(12) bond length is 1.29 Å. The C(11)-O(13) bond length is 1.27 Å. In the eighth C site, C(12) is bonded in a distorted bent 120 degrees geometry to one O(14) and one O(15) atom. The C(12)-O(14) bond length is 1.27 Å. The C(12)-O(15) bond length is 1.26 Å. There are six inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(2) atom. The H(1)-O(2) bond length is 1.00 Å. In the second H site, H(2) is bonded in a single-bond geometry to one O(2) atom. The H(2)-O(2) bond length is 0.97 Å. In the third H site, H(3) is bonded in a single-bond geometry to one O(4) atom. The H(3)-O(4) bond length is 0.99 Å. In the fourth H site, H(4) is bonded in a single-bond geometry to one O(4) atom. The H(4)-O(4) bond length is 0.98 Å. In the fifth H site, H(5) is bonded in a single-bond geometry to one O(1) and one O(9) atom. The H(5)-O(1) bond length is 1.65 Å. The H(5)-O(9) bond length is 1.00 Å. In the sixth H site, H(6) is bonded in a single-bond geometry to one O(16) atom. The H(6)-O(16) bond length is 0.98 Å. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one Ca(1), one C(1), and one H(5) atom. In the second O site, O(2) is bonded in a distorted water-like geometry to one Ca(1), one H(1), and one H(2) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to two equivalent Ca(1) and one C(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Ca(1), one H(3), and one H(4) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Ca(2), one Ca(3), and one C(5) atom. In the sixth O site, O(6) is bonded in a distorted single-bond geometry to two equivalent Ca(3) and one C(5) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Ca(2), one Ca(3), and one C(6) atom. In the eighth O site, O(8) is bonded in a distorted bent 150 degrees geometry to one Ca(3) and one C(6) atom. In the ninth O site, O(9) is bonded in a 2-coordinate geometry to one Ca(3), one C(3), and one H(5) atom. In the tenth O site, O(10) is bonded in a 1-coordinate geometry to two equivalent Ca(2) and one C(7) atom. In the eleventh O site, O(11) is bonded in a 3-coordinate geometry to one Ca(2), one Ca(3), and one C(7) atom. In the twelfth O site, O(12) is bonded in a distorted trigonal planar geometry to two equivalent Ca(1) and one C(11) atom. In the thirteenth O site, O(13) is bonded in a distorted single-bond geometry to one C(11) atom. In the fourteenth O site, O(14) is bonded in a distorted single-bond geometry to one Ca(2), one Ca(3), and one C(12) atom. In the fifteenth O site, O(15) is bonded in a 2-coordinate geometry to one Ca(2) and one C(12) atom. In the sixteenth O site, O(16) is bonded in a 2-coordinate geometry to one Ca(2), one C(9), and one H(6) atom. Linkers: 4 [O]C(=O)CC(O)(CC([O])=O)C([O])=O. Metal clusters: 6 [Ca]. The MOF has largest included sphere 3.36 A, density 1.86 g/cm3, surface area 2954.89 m2/g, accessible volume 0.09 cm3/g