CH3C28BiNH20O9 crystallizes in the monoclinic P2_1/c space group. The structure consists of four 02329_fluka molecules inside a C28BiNH20O9 framework. In the C28BiNH20O9 framework, there are twenty-eight inequivalent C sites. In the first C site, C(9) is bonded in a trigonal planar geometry to one C(1), one C(20), and one C(24) atom. The C(9)-C(1) bond length is 1.49 Å. The C(9)-C(20) bond length is 1.40 Å. The C(9)-C(24) bond length is 1.40 Å. In the second C site, C(10) is bonded in a trigonal planar geometry to one C(12), one C(22), and one C(4) atom. The C(10)-C(12) bond length is 1.40 Å. The C(10)-C(22) bond length is 1.40 Å. The C(10)-C(4) bond length is 1.49 Å. In the third C site, C(11) is bonded in a distorted single-bond geometry to one C(8) and one H(1) atom. The C(11)-C(8) bond length is 1.40 Å. The C(11)-H(1) bond length is 1.09 Å. In the fourth C site, C(12) is bonded in a distorted single-bond geometry to one C(10), one C(19), and one H(2) atom. The C(12)-C(19) bond length is 1.39 Å. The C(12)-H(2) bond length is 1.09 Å. In the fifth C site, C(13) is bonded in a trigonal planar geometry to one C(14), one C(21), and one C(23) atom. The C(13)-C(14) bond length is 1.49 Å. The C(13)-C(21) bond length is 1.40 Å. The C(13)-C(23) bond length is 1.40 Å. In the sixth C site, C(14) is bonded in a distorted bent 120 degrees geometry to one C(13), one O(4), and one O(6) atom. The C(14)-O(4) bond length is 1.29 Å. The C(14)-O(6) bond length is 1.28 Å. In the seventh C site, C(15) is bonded in a distorted trigonal planar geometry to one C(18), one C(8), and one H(3) atom. The C(15)-C(18) bond length is 1.39 Å. The C(15)-C(8) bond length is 1.40 Å. The C(15)-H(3) bond length is 1.09 Å. In the eighth C site, C(16) is bonded in a distorted single-bond geometry to one C(7) and one H(4) atom. The C(16)-C(7) bond length is 1.40 Å. The C(16)-H(4) bond length is 1.09 Å. In the ninth C site, C(17) is bonded in a distorted single-bond geometry to one C(6) and one H(5) atom. The C(17)-C(6) bond length is 1.40 Å. The C(17)-H(5) bond length is 1.09 Å. In the tenth C site, C(18) is bonded in a distorted single-bond geometry to one C(15), one C(6), and one H(6) atom. The C(18)-C(6) bond length is 1.40 Å. The C(18)-H(6) bond length is 1.09 Å. In the eleventh C site, C(19) is bonded in a distorted trigonal planar geometry to one C(12), one C(7), and one H(7) atom. The C(19)-C(7) bond length is 1.40 Å. The C(19)-H(7) bond length is 1.09 Å. In the twelfth C site, C(20) is bonded in a distorted single-bond geometry to one C(21), one C(9), and one H(8) atom. The C(20)-C(21) bond length is 1.39 Å. The C(20)-H(8) bond length is 1.09 Å. In the thirteenth C site, C(21) is bonded in a distorted trigonal planar geometry to one C(13), one C(20), and one H(9) atom. The C(21)-H(9) bond length is 1.09 Å. In the fourteenth C site, C(22) is bonded in a distorted single-bond geometry to one C(10) and one H(10) atom. The C(22)-H(10) bond length is 1.09 Å. In the fifteenth C site, C(23) is bonded in a distorted single-bond geometry to one C(13) and one H(11) atom. The C(23)-H(11) bond length is 1.09 Å. In the sixteenth C site, C(24) is bonded in a distorted single-bond geometry to one C(9) and one H(13) atom. The C(24)-H(13) bond length is 1.09 Å. In the seventeenth C site, C(26) is bonded in a distorted bent 120 degrees geometry to one O(7) and one O(8) atom. The C(26)-O(7) bond length is 1.34 Å. The C(26)-O(8) bond length is 1.24 Å. In the eighteenth C site, C(27) is bonded in a trigonal planar geometry to one N(1), one H(17), and one O(9) atom. The C(27)-N(1) bond length is 1.33 Å. The C(27)-H(17) bond length is 1.10 Å. The C(27)-O(9) bond length is 1.26 Å. In the nineteenth C site, C(28) is bonded to one N(1), one H(18), one H(19), and one H(20) atom to form corner-sharing CH3N tetrahedra. The C(28)-N(1) bond length is 1.46 Å. The C(28)-H(18) bond length is 1.10 Å. The C(28)-H(19) bond length is 1.10 Å. The C(28)-H(20) bond length is 1.10 Å. In the twentieth C site, C(29) is bonded to one N(1), one H(21), one H(22), and one H(23) atom to form corner-sharing CH3N tetrahedra. The C(29)-N(1) bond length is 1.46 Å. The C(29)-H(21) bond length is 1.09 Å. The C(29)-H(22) bond length is 1.10 Å. The C(29)-H(23) bond length is 1.10 Å. In the twenty-first C site, C(1) is bonded in a trigonal planar geometry to one C(2), one C(4), and one C(9) atom. The C(1)-C(2) bond length is 1.41 Å. The C(1)-C(4) bond length is 1.41 Å. In the twenty-second C site, C(2) is bonded in a trigonal planar geometry to one C(1), one C(4), and one C(6) atom. The C(2)-C(4) bond length is 1.41 Å. The C(2)-C(6) bond length is 1.49 Å. In the twenty-third C site, C(3) is bonded in a distorted bent 120 degrees geometry to one C(7), one O(2), and one O(5) atom. The C(3)-C(7) bond length is 1.49 Å. The C(3)-O(2) bond length is 1.30 Å. The C(3)-O(5) bond length is 1.26 Å. In the twenty-fourth C site, C(4) is bonded in a trigonal planar geometry to one C(1), one C(10), and one C(2) atom. In the twenty-fifth C site, C(5) is bonded in a distorted bent 120 degrees geometry to one C(8), one O(1), and one O(3) atom. The C(5)-C(8) bond length is 1.49 Å. The C(5)-O(1) bond length is 1.31 Å. The C(5)-O(3) bond length is 1.25 Å. In the twenty-sixth C site, C(6) is bonded in a trigonal planar geometry to one C(17), one C(18), and one C(2) atom. In the twenty-seventh C site, C(7) is bonded in a trigonal planar geometry to one C(16), one C(19), and one C(3) atom. In the twenty-eighth C site, C(8) is bonded in a trigonal planar geometry to one C(11), one C(15), and one C(5) atom. Bi(1) is bonded in a 7-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(5), one O(6), and one O(9) atom. The Bi(1)-O(1) bond length is 2.23 Å. The Bi(1)-O(2) bond length is 2.25 Å. The Bi(1)-O(3) bond length is 2.72 Å. The Bi(1)-O(4) bond length is 2.35 Å. The Bi(1)-O(5) bond length is 2.84 Å. The Bi(1)-O(6) bond length is 2.63 Å. The Bi(1)-O(9) bond length is 2.50 Å. N(1) is bonded in a trigonal planar geometry to one C(27), one C(28), and one C(29) atom. There are twenty inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one C(11) atom. In the second H site, H(2) is bonded in a single-bond geometry to one C(12) atom. In the third H site, H(3) is bonded in a single-bond geometry to one C(15) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one C(16) atom. In the fifth H site, H(5) is bonded in a single-bond geometry to one C(17) atom. In the sixth H site, H(6) is bonded in a single-bond geometry to one C(18) atom. In the seventh H site, H(7) is bonded in a single-bond geometry to one C(19) atom. In the eighth H site, H(8) is bonded in a single-bond geometry to one C(20) atom. In the ninth H site, H(9) is bonded in a single-bond geometry to one C(21) atom. In the tenth H site, H(10) is bonded in a single-bond geometry to one C(22) atom. In the eleventh H site, H(11) is bonded in a single-bond geometry to one C(23) atom. In the twelfth H site, H(12) is bonded in a single-bond geometry to one O(6) and one O(7) atom. The H(12)-O(6) bond length is 1.71 Å. The H(12)-O(7) bond length is 1.01 Å. In the thirteenth H site, H(13) is bonded in a single-bond geometry to one C(24) atom. In the fourteenth H site, H(17) is bonded in a single-bond geometry to one C(27) atom. In the fifteenth H site, H(18) is bonded in a single-bond geometry to one C(28) atom. In the sixteenth H site, H(19) is bonded in a single-bond geometry to one C(28) atom. In the seventeenth H site, H(20) is bonded in a single-bond geometry to one C(28) atom. In the eighteenth H site, H(21) is bonded in a single-bond geometry to one C(29) atom. In the nineteenth H site, H(22) is bonded in a single-bond geometry to one C(29) atom. In the twentieth H site, H(23) is bonded in a single-bond geometry to one C(29) atom. There are nine inequivalent O sites. In the first O site, O(1) is bonded in a water-like geometry to one C(5) and one Bi(1) atom. In the second O site, O(2) is bonded in a distorted water-like geometry to one C(3) and one Bi(1) atom. In the third O site, O(3) is bonded in a single-bond geometry to one C(5) and one Bi(1) atom. In the fourth O site, O(9) is bonded in a distorted single-bond geometry to one C(27) and one Bi(1) atom. In the fifth O site, O(4) is bonded in a water-like geometry to one C(14) and one Bi(1) atom. In the sixth O site, O(5) is bonded in a single-bond geometry to one C(3) and one Bi(1) atom. In the seventh O site, O(6) is bonded in a distorted single-bond geometry to one C(14), one Bi(1), and one H(12) atom. In the eighth O site, O(7) is bonded in a water-like geometry to one C(26) and one H(12) atom. In the ninth O site, O(8) is bonded in a single-bond geometry to one C(26) atom. Linkers: 2 [CH]=CC(=[CH])c1c(-c2ccc(C([O])=O)cc2)c(-c2ccc(C([O])=O)cc2)c(-c2ccc(C([O])=O)cc2)c(-c2ccc(C([O])=O)cc2)c1-c1ccc(C([O])=O)cc1 ,2 [O]C(=O)c1ccc(-c2c(-c3ccc(C([O])=O)cc3)c(-c3ccc(C([O])=O)cc3)c(-c3ccc(C([O])=O)cc3)c(-c3ccc(C([O])=O)cc3)c2-c2ccc(C([O])=O)cc2)cc1. Metal clusters: 4 [Bi]. The MOF has largest included sphere 4.50 A, density 1.63 g/cm3, surface area 3927.75 m2/g, accessible volume 0.17 cm3/g