BaC10H12(N3O8)2 crystallizes in the triclinic P1 space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 10-coordinate geometry to one O(1), one O(19), one O(2), one O(20), one O(23), one O(24), one O(25), one O(26), one O(29), and one O(30) atom. The Ba(1)-O(1) bond length is 2.80 Å. The Ba(1)-O(19) bond length is 3.27 Å. The Ba(1)-O(2) bond length is 2.80 Å. The Ba(1)-O(20) bond length is 3.27 Å. The Ba(1)-O(23) bond length is 2.97 Å. The Ba(1)-O(24) bond length is 2.97 Å. The Ba(1)-O(25) bond length is 2.76 Å. The Ba(1)-O(26) bond length is 2.77 Å. The Ba(1)-O(29) bond length is 2.75 Å. The Ba(1)-O(30) bond length is 2.75 Å. In the second Ba site, Ba(2) is bonded in a 10-coordinate geometry to one O(17), one O(18), one O(21), one O(22), one O(27), one O(28), one O(3), one O(31), one O(32), and one O(4) atom. The Ba(2)-O(17) bond length is 3.27 Å. The Ba(2)-O(18) bond length is 3.26 Å. The Ba(2)-O(21) bond length is 2.97 Å. The Ba(2)-O(22) bond length is 2.97 Å. The Ba(2)-O(27) bond length is 2.76 Å. The Ba(2)-O(28) bond length is 2.77 Å. The Ba(2)-O(3) bond length is 2.80 Å. The Ba(2)-O(31) bond length is 2.75 Å. The Ba(2)-O(32) bond length is 2.75 Å. The Ba(2)-O(4) bond length is 2.80 Å. There are eighteen inequivalent C sites. In the first C site, C(1) is bonded in a distorted trigonal planar geometry to one C(5); one N(1,2,3,4); and one H(17,18,19,20) atom. The C(1)-C(5) bond length is 1.38 Å. The C(1)-N(1,2,3,4) bond length is 1.36 Å. The C(1)-H(17,18,19,20) bond length is 1.09 Å. In the second C site, C(2,4) is bonded in a distorted trigonal planar geometry to one C(6); one N(1,2,3,4); and one H(17,18,19,20) atom. The C(2,4)-C(6) bond length is 1.38 Å. The C(2,4)-N(1,2,3,4) bond length is 1.36 Å. The C(2,4)-H(17,18,19,20) bond length is 1.09 Å. In the third C site, C(3) is bonded in a distorted trigonal planar geometry to one C(7); one N(1,2,3,4); and one H(17,18,19,20) atom. The C(3)-C(7) bond length is 1.38 Å. The C(3)-N(1,2,3,4) bond length is 1.36 Å. The C(3)-H(17,18,19,20) bond length is 1.09 Å. In the fourth C site, C(5) is bonded in a distorted trigonal planar geometry to one C(1), one C(9), and one N(5) atom. The C(5)-C(9) bond length is 1.47 Å. The C(5)-N(5) bond length is 1.44 Å. In the fifth C site, C(6) is bonded in a distorted trigonal planar geometry to one C(10); one C(2,4); and one N(6,8) atom. The C(6)-C(10) bond length is 1.47 Å. The C(6)-N(6,8) bond length is 1.44 Å. In the sixth C site, C(7) is bonded in a distorted trigonal planar geometry to one C(11), one C(3), and one N(7) atom. The C(7)-C(11) bond length is 1.47 Å. The C(7)-N(7) bond length is 1.44 Å. In the seventh C site, C(8) is bonded in a distorted trigonal planar geometry to one C(12); one C(2,4); and one N(6,8) atom. The C(8)-C(12) bond length is 1.47 Å. The C(8)-C(2,4) bond length is 1.38 Å. The C(8)-N(6,8) bond length is 1.44 Å. In the eighth C site, C(9) is bonded in a distorted single-bond geometry to one C(13), one C(5), and one O(5) atom. The C(9)-C(13) bond length is 1.47 Å. The C(9)-O(5) bond length is 1.25 Å. In the ninth C site, C(10) is bonded in a distorted single-bond geometry to one C(14), one C(6), and one O(6) atom. The C(10)-C(14) bond length is 1.47 Å. The C(10)-O(6) bond length is 1.25 Å. In the tenth C site, C(11) is bonded in a distorted single-bond geometry to one C(15), one C(7), and one O(7) atom. The C(11)-C(15) bond length is 1.47 Å. The C(11)-O(7) bond length is 1.25 Å. In the eleventh C site, C(12) is bonded in a distorted single-bond geometry to one C(16), one C(8), and one O(8) atom. The C(12)-C(16) bond length is 1.47 Å. The C(12)-O(8) bond length is 1.25 Å. In the twelfth C site, C(13) is bonded in a distorted trigonal planar geometry to one C(17), one C(9), and one N(9) atom. The C(13)-C(17) bond length is 1.38 Å. The C(13)-N(9) bond length is 1.44 Å. In the thirteenth C site, C(14) is bonded in a distorted trigonal planar geometry to one C(10); one C(18,20); and one N(10) atom. The C(14)-C(18,20) bond length is 1.38 Å. The C(14)-N(10) bond length is 1.44 Å. In the fourteenth C site, C(15) is bonded in a distorted trigonal planar geometry to one C(11), one C(19), and one N(11) atom. The C(15)-C(19) bond length is 1.38 Å. The C(15)-N(11) bond length is 1.44 Å. In the fifteenth C site, C(16) is bonded in a distorted trigonal planar geometry to one C(12); one C(18,20); and one N(12) atom. The C(16)-C(18,20) bond length is 1.38 Å. The C(16)-N(12) bond length is 1.44 Å. In the sixteenth C site, C(17) is bonded in a distorted trigonal planar geometry to one C(13); one N(1,2,3,4); and one H(21,22,23,24) atom. The C(17)-N(1,2,3,4) bond length is 1.36 Å. The C(17)-H(21,22,23,24) bond length is 1.09 Å. In the seventeenth C site, C(18,20) is bonded in a distorted trigonal planar geometry to one C(14); one N(1,2,3,4); and one H(21,22,23,24) atom. The C(18,20)-N(1,2,3,4) bond length is 1.36 Å. The C(18,20)-H(21,22,23,24) bond length is 1.09 Å. In the eighteenth C site, C(19) is bonded in a distorted trigonal planar geometry to one C(15); one N(1,2,3,4); and one H(21,22,23,24) atom. The C(19)-N(1,2,3,4) bond length is 1.36 Å. The C(19)-H(21,22,23,24) bond length is 1.09 Å. There are eight inequivalent N sites. In the first N site, N(1,2,3,4) is bonded in a trigonal planar geometry to one C(1), one C(17), and one O(1) atom. The N(1,2,3,4)-O(1) bond length is 1.32 Å. In the second N site, N(5) is bonded in a trigonal planar geometry to one C(5); one O(13,14,15,16); and one O(9,10,11,12) atom. The N(5)-O(13,14,15,16) bond length is 1.24 Å. The N(5)-O(9,10,11,12) bond length is 1.26 Å. In the third N site, N(6,8) is bonded in a trigonal planar geometry to one C(6); one O(13,14,15,16); and one O(9,10,11,12) atom. The N(6,8)-O(13,14,15,16) bond length is 1.24 Å. The N(6,8)-O(9,10,11,12) bond length is 1.26 Å. In the fourth N site, N(7) is bonded in a trigonal planar geometry to one C(7); one O(13,14,15,16); and one O(9,10,11,12) atom. The N(7)-O(13,14,15,16) bond length is 1.24 Å. The N(7)-O(9,10,11,12) bond length is 1.26 Å. In the fifth N site, N(9) is bonded in a trigonal planar geometry to one C(13), one O(17), and one O(21) atom. The N(9)-O(17) bond length is 1.24 Å. The N(9)-O(21) bond length is 1.26 Å. In the sixth N site, N(10) is bonded in a trigonal planar geometry to one C(14), one O(18), and one O(22) atom. The N(10)-O(18) bond length is 1.24 Å. The N(10)-O(22) bond length is 1.26 Å. In the seventh N site, N(11) is bonded in a trigonal planar geometry to one C(15), one O(19), and one O(23) atom. The N(11)-O(19) bond length is 1.24 Å. The N(11)-O(23) bond length is 1.26 Å. In the eighth N site, N(12) is bonded in a trigonal planar geometry to one C(16), one O(20), and one O(24) atom. The N(12)-O(20) bond length is 1.24 Å. The N(12)-O(24) bond length is 1.26 Å. There are seventeen inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(25) atom. The H(1)-O(25) bond length is 0.99 Å. In the second H site, H(2) is bonded in a single-bond geometry to one O(26) atom. The H(2)-O(26) bond length is 0.99 Å. In the third H site, H(3) is bonded in a single-bond geometry to one O(27) atom. The H(3)-O(27) bond length is 0.99 Å. In the fourth H site, H(4) is bonded in a single-bond geometry to one O(28) atom. The H(4)-O(28) bond length is 0.99 Å. In the fifth H site, H(5) is bonded in a single-bond geometry to one O(25) atom. The H(5)-O(25) bond length is 0.97 Å. In the sixth H site, H(6) is bonded in a single-bond geometry to one O(26) atom. The H(6)-O(26) bond length is 0.97 Å. In the seventh H site, H(7) is bonded in a single-bond geometry to one O(27) atom. The H(7)-O(27) bond length is 0.97 Å. In the eighth H site, H(8) is bonded in a single-bond geometry to one O(28) atom. The H(8)-O(28) bond length is 0.97 Å. In the ninth H site, H(9,11) is bonded in a single-bond geometry to one O(29) atom. The H(9,11)-O(29) bond length is 0.99 Å. In the tenth H site, H(10) is bonded in a single-bond geometry to one O(30) atom. The H(10)-O(30) bond length is 0.99 Å. In the eleventh H site, H(12) is bonded in a single-bond geometry to one O(32) atom. The H(12)-O(32) bond length is 0.99 Å. In the twelfth H site, H(13) is bonded in a single-bond geometry to one O(29) atom. The H(13)-O(29) bond length is 0.98 Å. In the thirteenth H site, H(14) is bonded in a single-bond geometry to one O(30) atom. The H(14)-O(30) bond length is 0.98 Å. In the fourteenth H site, H(15) is bonded in a single-bond geometry to one O(31) atom. The H(15)-O(31) bond length is 0.98 Å. In the fifteenth H site, H(16) is bonded in a single-bond geometry to one O(32) atom. The H(16)-O(32) bond length is 0.98 Å. In the sixteenth H site, H(17,18,19,20) is bonded in a single-bond geometry to one C(1) atom. In the seventeenth H site, H(21,22,23,24) is bonded in a single-bond geometry to one C(17) atom. There are twenty-six inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one Ba(1) and one N(1,2,3,4) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to one Ba(1) and one N(1,2,3,4) atom. The O(2)-N(1,2,3,4) bond length is 1.32 Å. In the third O site, O(3) is bonded in a distorted single-bond geometry to one Ba(2) and one N(1,2,3,4) atom. The O(3)-N(1,2,3,4) bond length is 1.32 Å. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to one Ba(2) and one N(1,2,3,4) atom. The O(4)-N(1,2,3,4) bond length is 1.32 Å. In the fifth O site, O(5) is bonded in a single-bond geometry to one C(9) atom. In the sixth O site, O(6) is bonded in a single-bond geometry to one C(10) atom. In the seventh O site, O(7) is bonded in a single-bond geometry to one C(11) atom. In the eighth O site, O(8) is bonded in a single-bond geometry to one C(12) atom. In the ninth O site, O(9,10,11,12) is bonded in a single-bond geometry to one N(5) atom. In the tenth O site, O(13,14,15,16) is bonded in a single-bond geometry to one N(5) atom. In the eleventh O site, O(17) is bonded in a single-bond geometry to one Ba(2) and one N(9) atom. In the twelfth O site, O(18) is bonded in a single-bond geometry to one Ba(2) and one N(10) atom. In the thirteenth O site, O(19) is bonded in a single-bond geometry to one Ba(1) and one N(11) atom. In the fourteenth O site, O(20) is bonded in a single-bond geometry to one Ba(1) and one N(12) atom. In the fifteenth O site, O(21) is bonded in a distorted single-bond geometry to one Ba(2) and one N(9) atom. In the sixteenth O site, O(22) is bonded in a distorted single-bond geometry to one Ba(2) and one N(10) atom. In the seventeenth O site, O(23) is bonded in a distorted single-bond geometry to one Ba(1) and one N(11) atom. In the eighteenth O site, O(24) is bonded in a distorted single-bond geometry to one Ba(1) and one N(12) atom. In the nineteenth O site, O(25) is bonded in a water-like geometry to one Ba(1), one H(1), and one H(5) atom. In the twentieth O site, O(26) is bonded in a water-like geometry to one Ba(1), one H(2), and one H(6) atom. In the twenty-first O site, O(27) is bonded in a water-like geometry to one Ba(2), one H(3), and one H(7) atom. In the twenty-second O site, O(28) is bonded in a water-like geometry to one Ba(2), one H(4), and one H(8) atom. In the twenty-third O site, O(29) is bonded in a water-like geometry to one Ba(1); one H(13); and one H(9,11) atom. In the twenty-fourth O site, O(30) is bonded in a water-like geometry to one Ba(1), one H(10), and one H(14) atom. In the twenty-fifth O site, O(31) is bonded in a water-like geometry to one Ba(2); one H(15); and one H(9,11) atom. The O(31)-H(9,11) bond length is 0.99 Å. In the twenty-sixth O site, O(32) is bonded in a water-like geometry to one Ba(2), one H(12), and one H(16) atom. Linkers: 4 O=C1C([N+](=O)[O-])=C[N+]([O-])C=C1[N+](=O)[O-]. Metal clusters: 2 O.O.O.O.[Ba].[O].[O].[O][N][O].[O][N][O]. RCSR code: dia. The MOF has largest included sphere 2.22 A, density 2.03 g/cm3, surface area 3632.36 m2/g, accessible volume 0.06 cm3/g