Zr3H30(C5O2)8 crystallizes in the triclinic P-1 space group. There are three inequivalent Zr sites. In the first Zr site, Zr(1) is bonded in a 8-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(5), one O(6), one O(7), and one O(8) atom. The Zr(1)-O(1) bond length is 2.21 Å. The Zr(1)-O(2) bond length is 2.20 Å. The Zr(1)-O(3) bond length is 2.20 Å. The Zr(1)-O(4) bond length is 2.20 Å. The Zr(1)-O(5) bond length is 2.36 Å. The Zr(1)-O(6) bond length is 2.36 Å. The Zr(1)-O(7) bond length is 2.04 Å. The Zr(1)-O(8) bond length is 2.06 Å. In the second Zr site, Zr(2) is bonded in a 8-coordinate geometry to one O(10), one O(13), one O(15), one O(5), one O(6), one O(7), one O(8), and one O(9) atom. The Zr(2)-O(10) bond length is 2.42 Å. The Zr(2)-O(13) bond length is 2.02 Å. The Zr(2)-O(15) bond length is 2.32 Å. The Zr(2)-O(5) bond length is 2.25 Å. The Zr(2)-O(6) bond length is 2.23 Å. The Zr(2)-O(7) bond length is 2.12 Å. The Zr(2)-O(8) bond length is 2.12 Å. The Zr(2)-O(9) bond length is 2.39 Å. In the third Zr site, Zr(3) is bonded in a 8-coordinate geometry to one O(11), one O(12), one O(14), one O(16), one O(5), one O(6), one O(7), and one O(8) atom. The Zr(3)-O(11) bond length is 2.42 Å. The Zr(3)-O(12) bond length is 2.39 Å. The Zr(3)-O(14) bond length is 2.02 Å. The Zr(3)-O(16) bond length is 2.32 Å. The Zr(3)-O(5) bond length is 2.23 Å. The Zr(3)-O(6) bond length is 2.25 Å. The Zr(3)-O(7) bond length is 2.12 Å. The Zr(3)-O(8) bond length is 2.12 Å. There are forty inequivalent C sites. In the first C site, C(1) is bonded in a bent 120 degrees geometry to one C(5), one O(1), and one O(9) atom. The C(1)-C(5) bond length is 1.50 Å. The C(1)-O(1) bond length is 1.28 Å. The C(1)-O(9) bond length is 1.28 Å. In the second C site, C(2) is bonded in a bent 120 degrees geometry to one C(6), one O(10), and one O(2) atom. The C(2)-C(6) bond length is 1.50 Å. The C(2)-O(10) bond length is 1.27 Å. The C(2)-O(2) bond length is 1.28 Å. In the third C site, C(3) is bonded in a bent 120 degrees geometry to one C(7), one O(11), and one O(3) atom. The C(3)-C(7) bond length is 1.49 Å. The C(3)-O(11) bond length is 1.27 Å. The C(3)-O(3) bond length is 1.28 Å. In the fourth C site, C(4) is bonded in a bent 120 degrees geometry to one C(8), one O(12), and one O(4) atom. The C(4)-C(8) bond length is 1.49 Å. The C(4)-O(12) bond length is 1.28 Å. The C(4)-O(4) bond length is 1.28 Å. In the fifth C site, C(5) is bonded in a trigonal planar geometry to one C(1), one C(13), and one C(9) atom. The C(5)-C(13) bond length is 1.40 Å. The C(5)-C(9) bond length is 1.40 Å. In the sixth C site, C(6) is bonded in a trigonal planar geometry to one C(10), one C(14), and one C(2) atom. The C(6)-C(10) bond length is 1.40 Å. The C(6)-C(14) bond length is 1.40 Å. In the seventh C site, C(7) is bonded in a trigonal planar geometry to one C(11), one C(15), and one C(3) atom. The C(7)-C(11) bond length is 1.40 Å. The C(7)-C(15) bond length is 1.40 Å. In the eighth C site, C(8) is bonded in a trigonal planar geometry to one C(12), one C(16), and one C(4) atom. The C(8)-C(12) bond length is 1.40 Å. The C(8)-C(16) bond length is 1.40 Å. In the ninth C site, C(9) is bonded in a distorted trigonal planar geometry to one C(17), one C(5), and one H(7) atom. The C(9)-C(17) bond length is 1.39 Å. The C(9)-H(7) bond length is 1.09 Å. In the tenth C site, C(10) is bonded in a distorted trigonal planar geometry to one C(18), one C(6), and one H(8) atom. The C(10)-C(18) bond length is 1.39 Å. The C(10)-H(8) bond length is 1.09 Å. In the eleventh C site, C(11) is bonded in a distorted trigonal planar geometry to one C(19), one C(7), and one H(9) atom. The C(11)-C(19) bond length is 1.39 Å. The C(11)-H(9) bond length is 1.09 Å. In the twelfth C site, C(12) is bonded in a distorted trigonal planar geometry to one C(20), one C(8), and one H(10) atom. The C(12)-C(20) bond length is 1.39 Å. The C(12)-H(10) bond length is 1.09 Å. In the thirteenth C site, C(13) is bonded in a distorted single-bond geometry to one C(5) and one H(11,14) atom. The C(13)-H(11,14) bond length is 1.09 Å. In the fourteenth C site, C(14) is bonded in a distorted single-bond geometry to one C(6) and one H(12) atom. The C(14)-H(12) bond length is 1.09 Å. In the fifteenth C site, C(15) is bonded in a distorted single-bond geometry to one C(7) and one H(13) atom. The C(15)-H(13) bond length is 1.09 Å. In the sixteenth C site, C(16) is bonded in a distorted single-bond geometry to one C(8) and one H(11,14) atom. The C(16)-H(11,14) bond length is 1.09 Å. In the seventeenth C site, C(17) is bonded in a distorted single-bond geometry to one C(25), one C(9), and one H(15) atom. The C(17)-C(25) bond length is 1.41 Å. The C(17)-H(15) bond length is 1.09 Å. In the eighteenth C site, C(18) is bonded in a distorted single-bond geometry to one C(10), one C(26), and one H(16) atom. The C(18)-C(26) bond length is 1.41 Å. The C(18)-H(16) bond length is 1.09 Å. In the nineteenth C site, C(19) is bonded in a distorted single-bond geometry to one C(11), one C(27), and one H(17) atom. The C(19)-C(27) bond length is 1.41 Å. The C(19)-H(17) bond length is 1.09 Å. In the twentieth C site, C(20) is bonded in a distorted single-bond geometry to one C(12), one C(28), and one H(18) atom. The C(20)-C(28) bond length is 1.41 Å. The C(20)-H(18) bond length is 1.09 Å. In the twenty-first C site, C(21) is bonded in a distorted single-bond geometry to one C(25) and one H(19,22) atom. The C(21)-C(25) bond length is 1.41 Å. The C(21)-H(19,22) bond length is 1.09 Å. In the twenty-second C site, C(22) is bonded in a distorted single-bond geometry to one C(26) and one H(20,21) atom. The C(22)-C(26) bond length is 1.41 Å. The C(22)-H(20,21) bond length is 1.09 Å. In the twenty-third C site, C(23) is bonded in a distorted single-bond geometry to one C(27) and one H(20,21) atom. The C(23)-C(27) bond length is 1.41 Å. The C(23)-H(20,21) bond length is 1.09 Å. In the twenty-fourth C site, C(24) is bonded in a distorted single-bond geometry to one C(28) and one H(19,22) atom. The C(24)-C(28) bond length is 1.41 Å. The C(24)-H(19,22) bond length is 1.09 Å. In the twenty-fifth C site, C(25) is bonded in a trigonal planar geometry to one C(17), one C(21), and one C(29) atom. The C(25)-C(29) bond length is 1.48 Å. In the twenty-sixth C site, C(26) is bonded in a trigonal planar geometry to one C(18), one C(22), and one C(30) atom. The C(26)-C(30) bond length is 1.48 Å. In the twenty-seventh C site, C(27) is bonded in a trigonal planar geometry to one C(19), one C(23), and one C(31) atom. The C(27)-C(31) bond length is 1.48 Å. In the twenty-eighth C site, C(28) is bonded in a trigonal planar geometry to one C(20), one C(24), and one C(32) atom. The C(28)-C(32) bond length is 1.48 Å. In the twenty-ninth C site, C(29) is bonded in a trigonal planar geometry to one C(25), one C(33), and one C(37) atom. The C(29)-C(33) bond length is 1.40 Å. The C(29)-C(37) bond length is 1.40 Å. In the thirtieth C site, C(30) is bonded in a trigonal planar geometry to one C(26), one C(34), and one C(38) atom. The C(30)-C(34) bond length is 1.40 Å. The C(30)-C(38) bond length is 1.40 Å. In the thirty-first C site, C(31) is bonded in a trigonal planar geometry to one C(27), one C(35), and one C(37) atom. The C(31)-C(35) bond length is 1.40 Å. The C(31)-C(37) bond length is 1.40 Å. In the thirty-second C site, C(32) is bonded in a trigonal planar geometry to one C(28), one C(36), and one C(38) atom. The C(32)-C(36) bond length is 1.40 Å. The C(32)-C(38) bond length is 1.40 Å. In the thirty-third C site, C(33) is bonded in a distorted single-bond geometry to one C(29), one C(39), and one H(23) atom. The C(33)-C(39) bond length is 1.40 Å. The C(33)-H(23) bond length is 1.09 Å. In the thirty-fourth C site, C(34) is bonded in a distorted single-bond geometry to one C(30), one C(40), and one H(24) atom. The C(34)-C(40) bond length is 1.40 Å. The C(34)-H(24) bond length is 1.09 Å. In the thirty-fifth C site, C(35) is bonded in a distorted single-bond geometry to one C(31), one C(39), and one H(25) atom. The C(35)-C(39) bond length is 1.40 Å. The C(35)-H(25) bond length is 1.09 Å. In the thirty-sixth C site, C(36) is bonded in a distorted single-bond geometry to one C(32), one C(40), and one H(26) atom. The C(36)-C(40) bond length is 1.40 Å. The C(36)-H(26) bond length is 1.09 Å. In the thirty-seventh C site, C(37) is bonded in a single-bond geometry to one C(29), one C(31), and one H(27) atom. The C(37)-H(27) bond length is 1.09 Å. In the thirty-eighth C site, C(38) is bonded in a single-bond geometry to one C(30), one C(32), and one H(28) atom. The C(38)-H(28) bond length is 1.09 Å. In the thirty-ninth C site, C(39) is bonded in a trigonal planar geometry to one C(33), one C(35), and one C(40) atom. The C(39)-C(40) bond length is 1.48 Å. In the fortieth C site, C(40) is bonded in a trigonal planar geometry to one C(34), one C(36), and one C(39) atom. There are twenty-seven inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(5) atom. The H(1)-O(5) bond length is 0.97 Å. In the second H site, H(2) is bonded in a single-bond geometry to one O(6) atom. The H(2)-O(6) bond length is 0.97 Å. In the third H site, H(3) is bonded in a single-bond geometry to one O(15) atom. The H(3)-O(15) bond length is 0.98 Å. In the fourth H site, H(4) is bonded in a single-bond geometry to one O(15) atom. The H(4)-O(15) bond length is 0.98 Å. In the fifth H site, H(5) is bonded in a single-bond geometry to one O(16) atom. The H(5)-O(16) bond length is 0.98 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. In the seventh H site, H(7) is bonded in a single-bond geometry to one C(9) atom. In the eighth H site, H(8) is bonded in a single-bond geometry to one C(10) atom. In the ninth H site, H(9) is bonded in a single-bond geometry to one C(11) atom. In the tenth H site, H(10) is bonded in a single-bond geometry to one C(12) atom. In the eleventh H site, H(11,14) is bonded in a single-bond geometry to one C(13) atom. In the twelfth H site, H(12) is bonded in a single-bond geometry to one C(14) atom. In the thirteenth H site, H(13) is bonded in a single-bond geometry to one C(15) atom. In the fourteenth H site, H(15) is bonded in a single-bond geometry to one C(17) 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(20) atom. In the eighteenth H site, H(19,22) is bonded in a single-bond geometry to one C(21) atom. In the nineteenth H site, H(20,21) is bonded in a single-bond geometry to one C(22) atom. In the twentieth H site, H(23) is bonded in a single-bond geometry to one C(33) atom. In the twenty-first H site, H(24) is bonded in a single-bond geometry to one C(34) atom. In the twenty-second H site, H(25) is bonded in a single-bond geometry to one C(35) atom. In the twenty-third H site, H(26) is bonded in a single-bond geometry to one C(36) atom. In the twenty-fourth H site, H(27) is bonded in a single-bond geometry to one C(37) atom. In the twenty-fifth H site, H(28) is bonded in a single-bond geometry to one C(38) atom. In the twenty-sixth H site, H(29) is bonded in a single-bond geometry to one O(13) atom. The H(29)-O(13) bond length is 0.97 Å. In the twenty-seventh H site, H(30) is bonded in a single-bond geometry to one O(14) atom. The H(30)-O(14) bond length is 0.97 Å. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 120 degrees geometry to one Zr(1) and one C(1) atom. In the second O site, O(2) is bonded in a distorted bent 120 degrees geometry to one Zr(1) and one C(2) atom. In the third O site, O(3) is bonded in a distorted bent 120 degrees geometry to one Zr(1) and one C(3) atom. In the fourth O site, O(4) is bonded in a distorted bent 120 degrees geometry to one Zr(1) and one C(4) atom. In the fifth O site, O(5) is bonded in a distorted single-bond geometry to one Zr(1), one Zr(2), one Zr(3), and one H(1) atom. In the sixth O site, O(6) is bonded in a distorted single-bond geometry to one Zr(1), one Zr(2), one Zr(3), and one H(2) atom. In the seventh O site, O(7) is bonded in a trigonal non-coplanar geometry to one Zr(1), one Zr(2), and one Zr(3) atom. In the eighth O site, O(8) is bonded in a trigonal non-coplanar geometry to one Zr(1), one Zr(2), and one Zr(3) atom. In the ninth O site, O(9) is bonded in a distorted bent 120 degrees geometry to one Zr(2) and one C(1) atom. In the tenth O site, O(10) is bonded in a distorted single-bond geometry to one Zr(2) and one C(2) atom. In the eleventh O site, O(11) is bonded in a distorted single-bond geometry to one Zr(3) and one C(3) atom. In the twelfth O site, O(12) is bonded in a distorted bent 120 degrees geometry to one Zr(3) and one C(4) atom. In the thirteenth O site, O(13) is bonded in a bent 120 degrees geometry to one Zr(2) and one H(29) atom. In the fourteenth O site, O(14) is bonded in a bent 120 degrees geometry to one Zr(3) and one H(30) atom. In the fifteenth O site, O(15) is bonded in a distorted trigonal non-coplanar geometry to one Zr(2), one H(3), and one H(4) atom. In the sixteenth O site, O(16) is bonded in a distorted trigonal non-coplanar geometry to one Zr(3), one H(5), and one H(6) atom. Linkers: 2 [O]C(=O)c1ccc(-c2cc(-c3ccc(C([O])=O)cc3)cc(-c3cc(-c4ccc(C([O])=O)cc4)cc(-c4ccc(C([O])=O)cc4)c3)c2)cc1. Metal clusters: 1 O.O.O.O.O=[C]O[Zr](O[C]=O)(O[C]=O)(O[C]=O)(O[Zr](O)O)O[Zr](O)O.O=[C]O[Zr](O[C]=O)(O[C]=O)(O[C]=O)(O[Zr](O)O)O[Zr](O)O. RCSR code: flu. The MOF has largest included sphere 9.34 A, density 0.74 g/cm3, surface area 3778.97 m2/g, accessible volume 0.90 cm3/g