Ca2C17N3H12O13CaC13N3H12O5 is Indium-like structured and crystallizes in the monoclinic C2/c space group. The structure is zero-dimensional and consists of eight Ca2C17N3H12O13 clusters and four CaC13N3H12O5 clusters. In each Ca2C17N3H12O13 cluster, there are two inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a 5-coordinate geometry to one O(12), one O(14), one O(15), one O(2), and one O(3) atom. The Ca(1)-O(12) bond length is 2.37 Å. The Ca(1)-O(14) bond length is 2.56 Å. The Ca(1)-O(15) bond length is 2.61 Å. The Ca(1)-O(2) bond length is 2.44 Å. The Ca(1)-O(3) bond length is 2.70 Å. In the second Ca site, Ca(2) is bonded in a 7-coordinate geometry to one O(11), one O(12), one O(14), one O(17), one O(4), one O(5), and one O(6) atom. The Ca(2)-O(11) bond length is 2.50 Å. The Ca(2)-O(12) bond length is 2.60 Å. The Ca(2)-O(14) bond length is 2.39 Å. The Ca(2)-O(17) bond length is 2.37 Å. The Ca(2)-O(4) bond length is 2.35 Å. The Ca(2)-O(5) bond length is 2.77 Å. The Ca(2)-O(6) bond length is 2.43 Å. There are seventeen inequivalent C sites. In the first C site, C(1) is bonded in a trigonal planar geometry to one C(2), one C(6), and one C(7) atom. The C(1)-C(2) bond length is 1.40 Å. The C(1)-C(6) bond length is 1.40 Å. The C(1)-C(7) bond length is 1.49 Å. In the second C site, C(2) is bonded in a distorted single-bond geometry to one C(1), one C(3), and one H(1) atom. The C(2)-C(3) bond length is 1.39 Å. The C(2)-H(1) bond length is 0.93 Å. In the third C site, C(3) is bonded in a trigonal planar geometry to one C(10), one C(2), and one C(4) atom. The C(3)-C(10) bond length is 1.50 Å. The C(3)-C(4) bond length is 1.40 Å. In the fourth C site, C(4) is bonded in a distorted single-bond geometry to one C(3), one C(5), and one H(2) atom. The C(4)-C(5) bond length is 1.39 Å. The C(4)-H(2) bond length is 0.93 Å. In the fifth C site, C(5) is bonded in a trigonal planar geometry to one C(13), one C(4), and one C(6) atom. The C(5)-C(13) bond length is 1.51 Å. The C(5)-C(6) bond length is 1.39 Å. In the sixth C site, C(6) is bonded in a distorted single-bond geometry to one C(1), one C(5), and one H(3) atom. The C(6)-H(3) bond length is 0.93 Å. In the seventh C site, C(7) is bonded in a distorted bent 120 degrees geometry to one C(1), one N(1), and one O(1) atom. The C(7)-N(1) bond length is 1.33 Å. The C(7)-O(1) bond length is 1.24 Å. In the eighth C site, C(8) is bonded in a 3-coordinate geometry to one N(1) and two equivalent H(4,5) atoms. The C(8)-N(1) bond length is 1.44 Å. Both C(8)-H(4,5) bond lengths are 0.97 Å. In the ninth C site, C(9) is bonded in a distorted bent 120 degrees geometry to one O(2) and one O(3) atom. The C(9)-O(2) bond length is 1.26 Å. The C(9)-O(3) bond length is 1.24 Å. In the tenth C site, C(10) is bonded in a distorted bent 120 degrees geometry to one C(3), one N(2), and one O(4) atom. The C(10)-N(2) bond length is 1.34 Å. The C(10)-O(4) bond length is 1.23 Å. In the eleventh C site, C(11) is bonded in a distorted trigonal non-coplanar geometry to one N(2), one H(6), and one H(7) atom. The C(11)-N(2) bond length is 1.45 Å. The C(11)-H(6) bond length is 0.97 Å. The C(11)-H(7) bond length is 0.97 Å. In the twelfth C site, C(12) is bonded in a distorted bent 120 degrees geometry to one O(5) and one O(6) atom. The C(12)-O(5) bond length is 1.23 Å. The C(12)-O(6) bond length is 1.24 Å. In the thirteenth C site, C(13) is bonded in a distorted bent 120 degrees geometry to one C(5), one N(3), and one O(7) atom. The C(13)-N(3) bond length is 1.33 Å. The C(13)-O(7) bond length is 1.24 Å. In the fourteenth C site, C(14) is bonded in a 3-coordinate geometry to one N(3) and two equivalent H(8,9) atoms. The C(14)-N(3) bond length is 1.46 Å. Both C(14)-H(8,9) bond lengths are 0.97 Å. In the fifteenth C site, C(24) is bonded in a distorted bent 120 degrees geometry to one O(11) and one O(12) atom. The C(24)-O(11) bond length is 1.25 Å. The C(24)-O(12) bond length is 1.26 Å. In the sixteenth C site, C(27) is bonded in a distorted bent 120 degrees geometry to one O(14) and one O(15) atom. The C(27)-O(14) bond length is 1.27 Å. The C(27)-O(15) bond length is 1.24 Å. In the seventeenth C site, C(30) is bonded in a distorted bent 120 degrees geometry to one O(17) and one O(18) atom. The C(30)-O(17) bond length is 1.24 Å. The C(30)-O(18) bond length is 1.26 Å. There are three inequivalent N sites. In the first N site, N(1) is bonded in a distorted trigonal non-coplanar geometry to one C(7), one C(8), and one H(19) atom. The N(1)-H(19) bond length is 0.90 Å. In the second N site, N(2) is bonded in a distorted trigonal non-coplanar geometry to one C(10), one C(11), and one H(20) atom. The N(2)-H(20) bond length is 0.90 Å. In the third N site, N(3) is bonded in a trigonal non-coplanar geometry to one C(13), one C(14), and one H(21) atom. The N(3)-H(21) bond length is 0.90 Å. There are ten 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(2) is bonded in a single-bond geometry to one C(4) atom. In the third H site, H(3) is bonded in a single-bond geometry to one C(6) atom. In the fourth H site, H(4,5) is bonded in a single-bond geometry to one C(8) atom. In the fifth H site, H(6) is bonded in a single-bond geometry to one C(11) atom. In the sixth H site, H(7) is bonded in a single-bond geometry to one C(11) atom. In the seventh H site, H(8,9) is bonded in a single-bond geometry to one C(14) atom. In the eighth H site, H(19) is bonded in a single-bond geometry to one N(1) atom. In the ninth H site, H(20) is bonded in a single-bond geometry to one N(2) atom. In the tenth H site, H(21) is bonded in a single-bond geometry to one N(3) atom. There are thirteen inequivalent O sites. In the first O site, O(11) is bonded in a distorted L-shaped geometry to one Ca(2) and one C(24) atom. In the second O site, O(12) is bonded in a 3-coordinate geometry to one Ca(1), one Ca(2), and one C(24) atom. In the third O site, O(14) is bonded in a 3-coordinate geometry to one Ca(1), one Ca(2), and one C(27) atom. In the fourth O site, O(15) is bonded in a distorted single-bond geometry to one Ca(1) and one C(27) atom. In the fifth O site, O(17) is bonded in a bent 150 degrees geometry to one Ca(2) and one C(30) atom. In the sixth O site, O(18) is bonded in a single-bond geometry to one C(30) atom. In the seventh O site, O(1) is bonded in a single-bond geometry to one C(7) atom. In the eighth O site, O(2) is bonded in a distorted water-like geometry to one Ca(1) and one C(9) atom. In the ninth O site, O(3) is bonded in a distorted single-bond geometry to one Ca(1) and one C(9) atom. In the tenth O site, O(4) is bonded in a distorted linear geometry to one Ca(2) and one C(10) atom. In the eleventh O site, O(5) is bonded in a single-bond geometry to one Ca(2) and one C(12) atom. In the twelfth O site, O(6) is bonded in a distorted water-like geometry to one Ca(2) and one C(12) atom. In the thirteenth O site, O(7) is bonded in a single-bond geometry to one C(13) atom. In each CaC13N3H12O5 cluster, Ca(3) is bonded in a distorted trigonal pyramidal geometry to one O(13), one O(16), one O(8), and one O(9) atom. The Ca(3)-O(13) bond length is 2.32 Å. The Ca(3)-O(16) bond length is 2.42 Å. The Ca(3)-O(8) bond length is 2.54 Å. The Ca(3)-O(9) bond length is 2.36 Å. There are thirteen inequivalent C sites. In the first C site, C(15) is bonded in a distorted bent 120 degrees geometry to one O(8) and one O(9) atom. The C(15)-O(8) bond length is 1.24 Å. The C(15)-O(9) bond length is 1.26 Å. In the second C site, C(16) is bonded in a trigonal planar geometry to one C(17), one C(21), and one C(22) atom. The C(16)-C(17) bond length is 1.38 Å. The C(16)-C(21) bond length is 1.39 Å. The C(16)-C(22) bond length is 1.50 Å. In the third C site, C(17) is bonded in a distorted single-bond geometry to one C(16), one C(18), and one H(10) atom. The C(17)-C(18) bond length is 1.37 Å. The C(17)-H(10) bond length is 0.93 Å. In the fourth C site, C(18) is bonded in a trigonal planar geometry to one C(17), one C(19), and one C(25) atom. The C(18)-C(19) bond length is 1.39 Å. The C(18)-C(25) bond length is 1.51 Å. In the fifth C site, C(19) is bonded in a distorted single-bond geometry to one C(18), one C(20), and one H(11) atom. The C(19)-C(20) bond length is 1.39 Å. The C(19)-H(11) bond length is 0.93 Å. In the sixth C site, C(20) is bonded in a trigonal planar geometry to one C(19), one C(21), and one C(28) atom. The C(20)-C(21) bond length is 1.40 Å. The C(20)-C(28) bond length is 1.51 Å. In the seventh C site, C(21) is bonded in a distorted single-bond geometry to one C(16), one C(20), and one H(12) atom. The C(21)-H(12) bond length is 0.93 Å. In the eighth C site, C(22) is bonded in a distorted bent 120 degrees geometry to one C(16), one N(4), and one O(10) atom. The C(22)-N(4) bond length is 1.33 Å. The C(22)-O(10) bond length is 1.24 Å. In the ninth C site, C(23) is bonded in a 3-coordinate geometry to one N(4) and two equivalent H(13,14) atoms. The C(23)-N(4) bond length is 1.45 Å. Both C(23)-H(13,14) bond lengths are 0.97 Å. In the tenth C site, C(25) is bonded in a distorted bent 120 degrees geometry to one C(18), one N(5), and one O(13) atom. The C(25)-N(5) bond length is 1.33 Å. The C(25)-O(13) bond length is 1.25 Å. In the eleventh C site, C(26) is bonded in a 3-coordinate geometry to one N(5) and two equivalent H(15,16) atoms. The C(26)-N(5) bond length is 1.45 Å. Both C(26)-H(15,16) bond lengths are 0.97 Å. In the twelfth C site, C(28) is bonded in a distorted bent 120 degrees geometry to one C(20), one N(6), and one O(16) atom. The C(28)-N(6) bond length is 1.32 Å. The C(28)-O(16) bond length is 1.22 Å. In the thirteenth C site, C(29) is bonded in a 3-coordinate geometry to one N(6) and two equivalent H(17,18) atoms. The C(29)-N(6) bond length is 1.44 Å. Both C(29)-H(17,18) bond lengths are 0.97 Å. There are three inequivalent N sites. In the first N site, N(4) is bonded in a distorted trigonal non-coplanar geometry to one C(22), one C(23), and one H(22) atom. The N(4)-H(22) bond length is 0.90 Å. In the second N site, N(5) is bonded in a distorted trigonal non-coplanar geometry to one C(25), one C(26), and one H(23) atom. The N(5)-H(23) bond length is 0.90 Å. In the third N site, N(6) is bonded in a distorted trigonal non-coplanar geometry to one C(28), one C(29), and one H(24) atom. The N(6)-H(24) bond length is 0.90 Å. There are nine inequivalent H sites. In the first H site, H(10) is bonded in a single-bond geometry to one C(17) atom. In the second H site, H(11) is bonded in a single-bond geometry to one C(19) atom. In the third H site, H(12) is bonded in a single-bond geometry to one C(21) atom. In the fourth H site, H(13,14) is bonded in a single-bond geometry to one C(23) atom. In the fifth H site, H(15,16) is bonded in a single-bond geometry to one C(26) atom. In the sixth H site, H(17,18) is bonded in a single-bond geometry to one C(29) atom. In the seventh H site, H(22) is bonded in a single-bond geometry to one N(4) atom. In the eighth H site, H(23) is bonded in a single-bond geometry to one N(5) atom. In the ninth H site, H(24) is bonded in a single-bond geometry to one N(6) atom. There are five inequivalent O sites. In the first O site, O(9) is bonded in a distorted L-shaped geometry to one Ca(3) and one C(15) atom. In the second O site, O(10) is bonded in a single-bond geometry to one C(22) atom. In the third O site, O(13) is bonded in a 2-coordinate geometry to one Ca(3) and one C(25) atom. In the fourth O site, O(16) is bonded in a distorted bent 150 degrees geometry to one Ca(3) and one C(28) atom. In the fifth O site, O(8) is bonded in a distorted single-bond geometry to one Ca(3) and one C(15) atom. Linkers: 2 [O]C(=O)CN[C](O[Ca]OC(=O)CNC(=O)c1cc(C(=O)NCC([O])=O)cc(C(=O)NCC([O])=O)c1)c1cc(C(=O)NCC([O])=O)cc(C(=O)NCC([O])=O)c1.[O]C(=O)CN[C](O[Ca]O[C]=O)c1cc(C(=O)NCC([O])=O)cc(C(=O)NCC([O])=O)c1 ,2 [O]C(=O)CN[C](O[Ca]OC(=O)CNC(=O)c1cc(C(=O)NCC([O])=O)cc(C(=O)NCC([O])=O)c1)c1cc(C(=O)NCC([O])=O)cc(C(=O)NCC([O])=O)c1.[O]C(=O)CN[C](O[Ca]OC(=O)CNC(=O)c1cc([C]=O)cc(C(=O)NC[C]=O)c1)c1cc(C(=O)NCC([O])=O)cc(C(=O)NCC([O])=O)c1 ,1 [O]C(=O)CN[C](O[Ca]OC(=O)CNC(=O)c1cc(C(=O)NCC([O])=O)cc(C(=O)NCC([O])=O)c1)c1cc(C(=O)NCC([O])=O)cc(C(=O)NCC([O])=O)c1.[O]C(=O)CN[C](O[Ca]OC(=O)CNC(=O)c1cc(C(=O)NCC([O])=O)cc(C(=O)NCC([O])=O)c1)c1cc(C(=O)NCC([O])=O)cc(C(=O)NCC([O])=O)c1 ,2 [O]C(=O)CN[C](O[Ca]OC(=O)CNC(=O)c1cc(C(=O)NCC([O])=O)cc(C(=O)NCC([O])=O)c1)c1cc(C(=O)NCC([O])=O)cc(C(=O)NCC([O])=O)c1.[O]C(=O)CN[C](O[Ca]OC(=O)CNC(=O)c1cc([C]=O)cc(C(=O)NCC([O])=O)c1)c1cc(C(=O)NCC([O])=O)cc(C(=O)NCC([O])=O)c1 ,2 [CH]/[C]=C(/NCC([O])=O)O[Ca]OC(=O)CNC(=O)c1cc(C(=O)NCC([O])=O)cc(C(=O)NCC([O])=O)c1.[C]/C=C(\[CH])C(=O)NCC([O])=O. Metal clusters: 4 O=[C]O[Ca]O[C]=O.[O][C]=O.[O][C]=O.[O][Ca]O[C]=O. The MOF has largest included sphere 5.01 A, density 1.40 g/cm3, surface area 4389.42 m2/g, accessible volume 0.22 cm3/g