Ca4H15(C12O7)2(CH)12(C5H5O)6 is Indium-derived structured and crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of twenty-four 02329_fluka molecules, four schembl9685153 molecules, and two Ca4H15(C12O7)2 clusters. In each Ca4H15(C12O7)2 cluster, there are four inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a 6-coordinate geometry to one O(12), one O(14), one O(15), one O(17), one O(3), and one O(8) atom. The Ca(1)-O(12) bond length is 2.30 Å. The Ca(1)-O(14) bond length is 2.68 Å. The Ca(1)-O(15) bond length is 2.50 Å. The Ca(1)-O(17) bond length is 2.45 Å. The Ca(1)-O(3) bond length is 2.33 Å. The Ca(1)-O(8) bond length is 2.39 Å. In the second Ca site, Ca(3) is bonded in a 6-coordinate geometry to one O(15), one O(17), one O(18), one O(6), one O(8), and one O(9) atom. The Ca(3)-O(15) bond length is 2.37 Å. The Ca(3)-O(17) bond length is 2.47 Å. The Ca(3)-O(18) bond length is 2.64 Å. The Ca(3)-O(6) bond length is 2.34 Å. The Ca(3)-O(8) bond length is 2.66 Å. The Ca(3)-O(9) bond length is 2.46 Å. In the third Ca site, Ca(2) is bonded in a distorted rectangular see-saw-like geometry to one H(56), one O(11), one O(14), and one O(2) atom. The Ca(2)-H(56) bond length is 1.98 Å. The Ca(2)-O(11) bond length is 2.31 Å. The Ca(2)-O(14) bond length is 2.38 Å. The Ca(2)-O(2) bond length is 2.26 Å. In the fourth Ca site, Ca(4) is bonded in a distorted trigonal bipyramidal geometry to one O(18), one O(20), one O(5), one O(6), and one O(9) atom. The Ca(4)-O(18) bond length is 2.45 Å. The Ca(4)-O(20) bond length is 2.36 Å. The Ca(4)-O(5) bond length is 2.63 Å. The Ca(4)-O(6) bond length is 2.52 Å. The Ca(4)-O(9) bond length is 2.42 Å. There are twenty-four inequivalent C sites. In the first C site, C(14) is bonded in a trigonal planar geometry to one C(13), one C(15), and one C(17) atom. The C(14)-C(13) bond length is 1.44 Å. The C(14)-C(15) bond length is 1.40 Å. The C(14)-C(17) bond length is 1.50 Å. In the second C site, C(17) is bonded in a distorted bent 120 degrees geometry to one C(14), one O(2), and one O(3) atom. The C(17)-O(2) bond length is 1.25 Å. The C(17)-O(3) bond length is 1.28 Å. In the third C site, C(13) is bonded in a distorted single-bond geometry to one C(14) and one H(13) atom. The C(13)-H(13) bond length is 0.95 Å. In the fourth C site, C(15) is bonded in a distorted single-bond geometry to one C(14) and one H(14) atom. The C(15)-H(14) bond length is 0.95 Å. In the fifth C site, C(25) is bonded in a bent 120 degrees geometry to one C(22), one O(5), and one O(6) atom. The C(25)-C(22) bond length is 1.49 Å. The C(25)-O(5) bond length is 1.29 Å. The C(25)-O(6) bond length is 1.25 Å. In the sixth C site, C(22) is bonded in a trigonal planar geometry to one C(21), one C(23), and one C(25) atom. The C(22)-C(21) bond length is 1.39 Å. The C(22)-C(23) bond length is 1.44 Å. In the seventh C site, C(29) is bonded in a distorted single-bond geometry to one C(30) and one H(25) atom. The C(29)-C(30) bond length is 1.38 Å. The C(29)-H(25) bond length is 0.95 Å. In the eighth C site, C(30) is bonded in a trigonal planar geometry to one C(29), one C(31), and one C(33) atom. The C(30)-C(31) bond length is 1.37 Å. The C(30)-C(33) bond length is 1.57 Å. In the ninth C site, C(31) is bonded in a distorted single-bond geometry to one C(30) and one H(26) atom. The C(31)-H(26) bond length is 0.95 Å. In the tenth C site, C(33) is bonded in a bent 120 degrees geometry to one C(30), one O(8), and one O(9) atom. The C(33)-O(8) bond length is 1.28 Å. The C(33)-O(9) bond length is 1.29 Å. In the eleventh C site, C(46) is bonded in a distorted single-bond geometry to one C(47) and one H(40) atom. The C(46)-C(47) bond length is 1.37 Å. The C(46)-H(40) bond length is 0.95 Å. In the twelfth C site, C(47) is bonded in a trigonal planar geometry to one C(46), one C(48), and one C(50) atom. The C(47)-C(48) bond length is 1.43 Å. The C(47)-C(50) bond length is 1.54 Å. In the thirteenth C site, C(48) is bonded in a distorted single-bond geometry to one C(47) and one H(41) atom. The C(48)-H(41) bond length is 0.95 Å. In the fourteenth C site, C(50) is bonded in a distorted bent 120 degrees geometry to one C(47), one O(11), and one O(12) atom. The C(50)-O(11) bond length is 1.25 Å. The C(50)-O(12) bond length is 1.26 Å. In the fifteenth C site, C(54) is bonded in a distorted single-bond geometry to one C(55) and one H(46) atom. The C(54)-C(55) bond length is 1.49 Å. The C(54)-H(46) bond length is 0.95 Å. In the sixteenth C site, C(55) is bonded in a trigonal planar geometry to one C(54), one C(56), and one C(58) atom. The C(55)-C(56) bond length is 1.38 Å. The C(55)-C(58) bond length is 1.49 Å. In the seventeenth C site, C(56) is bonded in a distorted single-bond geometry to one C(55) and one H(47) atom. The C(56)-H(47) bond length is 0.95 Å. In the eighteenth C site, C(58) is bonded in a bent 120 degrees geometry to one C(55), one O(14), and one O(15) atom. The C(58)-O(14) bond length is 1.23 Å. The C(58)-O(15) bond length is 1.30 Å. In the nineteenth C site, C(62) is bonded in a distorted single-bond geometry to one C(63) and one H(52) atom. The C(62)-C(63) bond length is 1.42 Å. The C(62)-H(52) bond length is 0.95 Å. In the twentieth C site, C(63) is bonded in a trigonal planar geometry to one C(62), one C(64), and one C(66) atom. The C(63)-C(64) bond length is 1.39 Å. The C(63)-C(66) bond length is 1.52 Å. In the twenty-first C site, C(64) is bonded in a distorted single-bond geometry to one C(63) and one H(53) atom. The C(64)-H(53) bond length is 0.95 Å. In the twenty-second C site, C(66) is bonded in a bent 120 degrees geometry to one C(63), one O(17), and one O(18) atom. The C(66)-O(17) bond length is 1.26 Å. The C(66)-O(18) bond length is 1.28 Å. In the twenty-third C site, C(21) is bonded in a distorted single-bond geometry to one C(22) and one H(19) atom. The C(21)-H(19) bond length is 0.95 Å. In the twenty-fourth C site, C(23) is bonded in a distorted single-bond geometry to one C(22) and one H(20) atom. The C(23)-H(20) bond length is 0.95 Å. There are fifteen inequivalent H sites. In the first H site, H(13) is bonded in a single-bond geometry to one C(13) atom. In the second H site, H(14) is bonded in a single-bond geometry to one C(15) atom. In the third H site, H(19) is bonded in a single-bond geometry to one C(21) atom. In the fourth H site, H(20) is bonded in a single-bond geometry to one C(23) atom. In the fifth H site, H(25) is bonded in a single-bond geometry to one C(29) atom. In the sixth H site, H(26) is bonded in a single-bond geometry to one C(31) atom. In the seventh H site, H(40) is bonded in a single-bond geometry to one C(46) atom. In the eighth H site, H(41) is bonded in a single-bond geometry to one C(48) atom. In the ninth H site, H(46) is bonded in a single-bond geometry to one C(54) atom. In the tenth H site, H(47) is bonded in a single-bond geometry to one C(56) atom. In the eleventh H site, H(52) is bonded in a single-bond geometry to one C(62) atom. In the twelfth H site, H(53) is bonded in a single-bond geometry to one C(64) atom. In the thirteenth H site, H(55) is bonded in a single-bond geometry to one O(19) atom. The H(55)-O(19) bond length is 0.85 Å. In the fourteenth H site, H(56) is bonded in a distorted single-bond geometry to one Ca(2) and one O(19) atom. The H(56)-O(19) bond length is 0.89 Å. In the fifteenth H site, H(57) is bonded in a single-bond geometry to one O(20) atom. The H(57)-O(20) bond length is 0.90 Å. There are fourteen inequivalent O sites. In the first O site, O(3) is bonded in a bent 120 degrees geometry to one Ca(1) and one C(17) atom. In the second O site, O(6) is bonded in a distorted T-shaped geometry to one Ca(3), one Ca(4), and one C(25) atom. In the third O site, O(8) is bonded in a distorted T-shaped geometry to one Ca(1), one Ca(3), and one C(33) atom. In the fourth O site, O(9) is bonded in a T-shaped geometry to one Ca(3), one Ca(4), and one C(33) atom. In the fifth O site, O(11) is bonded in a distorted bent 120 degrees geometry to one Ca(2) and one C(50) atom. In the sixth O site, O(12) is bonded in a bent 150 degrees geometry to one Ca(1) and one C(50) atom. In the seventh O site, O(14) is bonded in a 3-coordinate geometry to one Ca(1), one Ca(2), and one C(58) atom. In the eighth O site, O(15) is bonded in a distorted T-shaped geometry to one Ca(1), one Ca(3), and one C(58) atom. In the ninth O site, O(17) is bonded in a T-shaped geometry to one Ca(1), one Ca(3), and one C(66) atom. In the tenth O site, O(18) is bonded in a 3-coordinate geometry to one Ca(3), one Ca(4), and one C(66) atom. In the eleventh O site, O(19) is bonded in a distorted water-like geometry to one H(55) and one H(56) atom. In the twelfth O site, O(5) is bonded in a distorted L-shaped geometry to one Ca(4) and one C(25) atom. In the thirteenth O site, O(20) is bonded in a distorted bent 150 degrees geometry to one Ca(4) and one H(57) atom. In the fourteenth O site, O(2) is bonded in a bent 150 degrees geometry to one Ca(2) and one C(17) atom. Linkers: 4 Cc1c(COc2ccc(C([O])=O)cc2)c(C)c(COc2ccc(C([O])=O)cc2)c(C)c1COc1ccc(C([O])=O)cc1. Metal clusters: 2 O.O=[C]O[Ca]O.O=[C]O[Ca]O[C]O[Ca].[O][C]=O.[O][C]O[Ca]O[C]=O. RCSR code: sit. The MOF has largest included sphere 8.28 A, density 0.83 g/cm3, surface area 5251.14 m2/g, accessible volume 0.60 cm3/g