Zn6C45H17O22 crystallizes in the orthorhombic Pca2_1 space group. There are twelve inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a 3-coordinate geometry to one O(18), one O(41), and one O(9) atom. The Zn(1)-O(18) bond length is 2.12 Å. The Zn(1)-O(41) bond length is 2.06 Å. The Zn(1)-O(9) bond length is 2.10 Å. In the second Zn site, Zn(2) is bonded to one O(10), one O(38), one O(42), and one O(9) atom to form corner-sharing ZnO4 tetrahedra. The Zn(2)-O(10) bond length is 1.98 Å. The Zn(2)-O(38) bond length is 1.95 Å. The Zn(2)-O(42) bond length is 1.95 Å. The Zn(2)-O(9) bond length is 1.97 Å. In the third Zn site, Zn(3) is bonded to one O(11), one O(19), one O(21), and one O(9) atom to form corner-sharing ZnO4 tetrahedra. The Zn(3)-O(11) bond length is 1.99 Å. The Zn(3)-O(19) bond length is 1.92 Å. The Zn(3)-O(21) bond length is 1.93 Å. The Zn(3)-O(9) bond length is 1.98 Å. In the fourth Zn site, Zn(4) is bonded in a rectangular see-saw-like geometry to one O(13), one O(34), one O(6), and one O(8) atom. The Zn(4)-O(13) bond length is 2.12 Å. The Zn(4)-O(34) bond length is 2.09 Å. The Zn(4)-O(6) bond length is 2.04 Å. The Zn(4)-O(8) bond length is 2.08 Å. In the fifth Zn site, Zn(5) is bonded in a tetrahedral geometry to one O(34), one O(35), one O(40), and one O(7) atom. The Zn(5)-O(34) bond length is 1.96 Å. The Zn(5)-O(35) bond length is 1.98 Å. The Zn(5)-O(40) bond length is 1.94 Å. The Zn(5)-O(7) bond length is 1.95 Å. In the sixth Zn site, Zn(6) is bonded in a distorted trigonal non-coplanar geometry to one O(12), one O(34), and one O(36) atom. The Zn(6)-O(12) bond length is 1.93 Å. The Zn(6)-O(34) bond length is 1.93 Å. The Zn(6)-O(36) bond length is 1.93 Å. In the seventh Zn site, Zn(7) is bonded in a 3-coordinate geometry to one O(28), one O(3), and one O(43) atom. The Zn(7)-O(28) bond length is 2.06 Å. The Zn(7)-O(3) bond length is 2.16 Å. The Zn(7)-O(43) bond length is 2.10 Å. In the eighth Zn site, Zn(8) is bonded in a 5-coordinate geometry to one O(14), one O(29), one O(32), one O(33), and one O(43) atom. The Zn(8)-O(14) bond length is 2.00 Å. The Zn(8)-O(29) bond length is 1.95 Å. The Zn(8)-O(32) bond length is 2.44 Å. The Zn(8)-O(33) bond length is 2.00 Å. The Zn(8)-O(43) bond length is 1.97 Å. In the ninth Zn site, Zn(9) is bonded in a tetrahedral geometry to one O(15), one O(2), one O(4), and one O(43) atom. The Zn(9)-O(15) bond length is 1.99 Å. The Zn(9)-O(2) bond length is 1.92 Å. The Zn(9)-O(4) bond length is 1.94 Å. The Zn(9)-O(43) bond length is 1.96 Å. In the tenth Zn site, Zn(10) is bonded in a rectangular see-saw-like geometry to one O(17), one O(23), one O(25), and one O(44) atom. The Zn(10)-O(17) bond length is 2.01 Å. The Zn(10)-O(23) bond length is 2.05 Å. The Zn(10)-O(25) bond length is 2.04 Å. The Zn(10)-O(44) bond length is 2.08 Å. In the eleventh Zn site, Zn(11) is bonded in a tetrahedral geometry to one O(22), one O(27), one O(30), and one O(44) atom. The Zn(11)-O(22) bond length is 1.93 Å. The Zn(11)-O(27) bond length is 1.99 Å. The Zn(11)-O(30) bond length is 1.92 Å. The Zn(11)-O(44) bond length is 1.96 Å. In the twelfth Zn site, Zn(12) is bonded in a distorted trigonal non-coplanar geometry to one O(24), one O(26), and one O(44) atom. The Zn(12)-O(24) bond length is 1.91 Å. The Zn(12)-O(26) bond length is 1.95 Å. The Zn(12)-O(44) bond length is 1.94 Å. There are ninety inequivalent C sites. In the first C site, C(1) is bonded in a trigonal planar geometry to one C(17), one C(2), and one C(6) atom. The C(1)-C(17) bond length is 1.45 Å. The C(1)-C(2) bond length is 1.40 Å. The C(1)-C(6) bond length is 1.39 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(2) atom. The C(2)-C(3) bond length is 1.37 Å. The C(2)-H(2) bond length is 0.93 Å. In the third C site, C(3) is bonded in a trigonal planar geometry to one C(2), one C(4), and one C(7) atom. The C(3)-C(4) bond length is 1.40 Å. The C(3)-C(7) bond length is 1.50 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(3) atom. The C(4)-C(5) bond length is 1.39 Å. The C(4)-H(3) bond length is 0.93 Å. In the fifth C site, C(5) is bonded in a trigonal planar geometry to one C(4), one C(6), and one C(8) atom. The C(5)-C(6) bond length is 1.38 Å. The C(5)-C(8) bond length is 1.50 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(4) atom. The C(6)-H(4) bond length is 0.93 Å. In the seventh C site, C(7) is bonded in a bent 120 degrees geometry to one C(3), one O(1), and one O(2) atom. The C(7)-O(1) bond length is 1.22 Å. The C(7)-O(2) bond length is 1.31 Å. In the eighth C site, C(8) is bonded in a distorted bent 120 degrees geometry to one C(5), one O(3), and one O(4) atom. The C(8)-O(3) bond length is 1.26 Å. The C(8)-O(4) bond length is 1.26 Å. In the ninth C site, C(9) is bonded in a trigonal planar geometry to one C(10), one C(14), and one C(18) atom. The C(9)-C(10) bond length is 1.39 Å. The C(9)-C(14) bond length is 1.40 Å. The C(9)-C(18) bond length is 1.42 Å. In the tenth C site, C(10) is bonded in a distorted trigonal planar geometry to one C(11), one C(9), and one H(5) atom. The C(10)-C(11) bond length is 1.37 Å. The C(10)-H(5) bond length is 0.93 Å. In the eleventh C site, C(11) is bonded in a trigonal planar geometry to one C(10), one C(12), and one C(15) atom. The C(11)-C(12) bond length is 1.40 Å. The C(11)-C(15) bond length is 1.50 Å. In the twelfth C site, C(12) is bonded in a distorted single-bond geometry to one C(11), one C(13), and one H(6) atom. The C(12)-C(13) bond length is 1.38 Å. The C(12)-H(6) bond length is 0.93 Å. In the thirteenth C site, C(13) is bonded in a trigonal planar geometry to one C(12), one C(14), and one C(16) atom. The C(13)-C(14) bond length is 1.39 Å. The C(13)-C(16) bond length is 1.50 Å. In the fourteenth C site, C(14) is bonded in a distorted single-bond geometry to one C(13), one C(9), and one H(7) atom. The C(14)-H(7) bond length is 0.93 Å. In the fifteenth C site, C(15) is bonded in a distorted bent 120 degrees geometry to one C(11), one O(5), and one O(6) atom. The C(15)-O(5) bond length is 1.26 Å. The C(15)-O(6) bond length is 1.24 Å. In the sixteenth C site, C(16) is bonded in a bent 120 degrees geometry to one C(13), one O(7), and one O(8) atom. The C(16)-O(7) bond length is 1.27 Å. The C(16)-O(8) bond length is 1.28 Å. In the seventeenth C site, C(17) is bonded in a linear geometry to one C(1) and one C(18) atom. The C(17)-C(18) bond length is 1.18 Å. In the eighteenth C site, C(18) is bonded in a linear geometry to one C(17) and one C(9) atom. In the nineteenth C site, C(19) is bonded in a trigonal planar geometry to one C(20), one C(24), and one C(35) atom. The C(19)-C(20) bond length is 1.39 Å. The C(19)-C(24) bond length is 1.37 Å. The C(19)-C(35) bond length is 1.42 Å. In the twentieth C site, C(20) is bonded in a distorted single-bond geometry to one C(19), one C(21), and one H(8) atom. The C(20)-C(21) bond length is 1.37 Å. The C(20)-H(8) bond length is 0.93 Å. In the twenty-first C site, C(21) is bonded in a trigonal planar geometry to one C(20), one C(22), and one C(25) atom. The C(21)-C(22) bond length is 1.40 Å. The C(21)-C(25) bond length is 1.50 Å. In the twenty-second C site, C(22) is bonded in a distorted single-bond geometry to one C(21), one C(23), and one H(9) atom. The C(22)-C(23) bond length is 1.37 Å. The C(22)-H(9) bond length is 0.93 Å. In the twenty-third C site, C(23) is bonded in a trigonal planar geometry to one C(22), one C(24), and one C(26) atom. The C(23)-C(24) bond length is 1.41 Å. The C(23)-C(26) bond length is 1.50 Å. In the twenty-fourth C site, C(24) is bonded in a distorted single-bond geometry to one C(19), one C(23), and one H(10) atom. The C(24)-H(10) bond length is 0.93 Å. In the twenty-fifth C site, C(25) is bonded in a distorted bent 120 degrees geometry to one C(21), one O(10), and one O(11) atom. The C(25)-O(10) bond length is 1.24 Å. The C(25)-O(11) bond length is 1.27 Å. In the twenty-sixth C site, C(26) is bonded in a distorted bent 120 degrees geometry to one C(23), one O(12), and one O(13) atom. The C(26)-O(12) bond length is 1.27 Å. The C(26)-O(13) bond length is 1.22 Å. In the twenty-seventh C site, C(27) is bonded in a trigonal planar geometry to one C(28), one C(32), and one C(36) atom. The C(27)-C(28) bond length is 1.41 Å. The C(27)-C(32) bond length is 1.38 Å. The C(27)-C(36) bond length is 1.43 Å. In the twenty-eighth C site, C(28) is bonded in a distorted single-bond geometry to one C(27), one C(29), and one H(11) atom. The C(28)-C(29) bond length is 1.39 Å. The C(28)-H(11) bond length is 0.93 Å. In the twenty-ninth C site, C(29) is bonded in a trigonal planar geometry to one C(28), one C(30), and one C(33) atom. The C(29)-C(30) bond length is 1.38 Å. The C(29)-C(33) bond length is 1.54 Å. In the thirtieth C site, C(30) is bonded in a distorted single-bond geometry to one C(29), one C(31), and one H(12) atom. The C(30)-C(31) bond length is 1.36 Å. The C(30)-H(12) bond length is 0.93 Å. In the thirty-first C site, C(31) is bonded in a trigonal planar geometry to one C(30), one C(32), and one C(34) atom. The C(31)-C(32) bond length is 1.41 Å. The C(31)-C(34) bond length is 1.52 Å. In the thirty-second C site, C(32) is bonded in a distorted single-bond geometry to one C(27), one C(31), and one H(13) atom. The C(32)-H(13) bond length is 0.93 Å. In the thirty-third C site, C(33) is bonded in a distorted bent 120 degrees geometry to one C(29), one O(14), and one O(15) atom. The C(33)-O(14) bond length is 1.24 Å. The C(33)-O(15) bond length is 1.24 Å. In the thirty-fourth C site, C(34) is bonded in a distorted bent 120 degrees geometry to one C(31), one O(16), and one O(17) atom. The C(34)-O(16) bond length is 1.23 Å. The C(34)-O(17) bond length is 1.27 Å. In the thirty-fifth C site, C(35) is bonded in a linear geometry to one C(19) and one C(36) atom. The C(35)-C(36) bond length is 1.21 Å. In the thirty-sixth C site, C(36) is bonded in a linear geometry to one C(27) and one C(35) atom. In the thirty-seventh C site, C(37) is bonded in a trigonal planar geometry to one C(38), one C(42), and one C(53) atom. The C(37)-C(38) bond length is 1.38 Å. The C(37)-C(42) bond length is 1.39 Å. The C(37)-C(53) bond length is 1.41 Å. In the thirty-eighth C site, C(38) is bonded in a distorted single-bond geometry to one C(37), one C(39), and one H(14) atom. The C(38)-C(39) bond length is 1.40 Å. The C(38)-H(14) bond length is 0.93 Å. In the thirty-ninth C site, C(39) is bonded in a trigonal planar geometry to one C(38), one C(40), and one C(43) atom. The C(39)-C(40) bond length is 1.40 Å. The C(39)-C(43) bond length is 1.52 Å. In the fortieth C site, C(40) is bonded in a distorted single-bond geometry to one C(39), one C(41), and one H(15) atom. The C(40)-C(41) bond length is 1.39 Å. The C(40)-H(15) bond length is 0.93 Å. In the forty-first C site, C(41) is bonded in a trigonal planar geometry to one C(40), one C(42), and one C(44) atom. The C(41)-C(42) bond length is 1.40 Å. The C(41)-C(44) bond length is 1.51 Å. In the forty-second C site, C(42) is bonded in a distorted single-bond geometry to one C(37), one C(41), and one H(16) atom. The C(42)-H(16) bond length is 0.93 Å. In the forty-third C site, C(43) is bonded in a distorted bent 120 degrees geometry to one C(39), one O(18), and one O(19) atom. The C(43)-O(18) bond length is 1.23 Å. The C(43)-O(19) bond length is 1.28 Å. In the forty-fourth C site, C(44) is bonded in a bent 120 degrees geometry to one C(41), one O(20), and one O(21) atom. The C(44)-O(20) bond length is 1.25 Å. The C(44)-O(21) bond length is 1.28 Å. In the forty-fifth C site, C(45) is bonded in a trigonal planar geometry to one C(46), one C(50), and one C(54) atom. The C(45)-C(46) bond length is 1.35 Å. The C(45)-C(50) bond length is 1.42 Å. The C(45)-C(54) bond length is 1.43 Å. In the forty-sixth C site, C(46) is bonded in a distorted single-bond geometry to one C(45), one C(47), and one H(17) atom. The C(46)-C(47) bond length is 1.40 Å. The C(46)-H(17) bond length is 0.93 Å. In the forty-seventh C site, C(47) is bonded in a trigonal planar geometry to one C(46), one C(48), and one C(51) atom. The C(47)-C(48) bond length is 1.40 Å. The C(47)-C(51) bond length is 1.46 Å. In the forty-eighth C site, C(48) is bonded in a distorted single-bond geometry to one C(47), one C(49), and one H(18) atom. The C(48)-C(49) bond length is 1.36 Å. The C(48)-H(18) bond length is 0.93 Å. In the forty-ninth C site, C(49) is bonded in a trigonal planar geometry to one C(48), one C(50), and one C(52) atom. The C(49)-C(50) bond length is 1.36 Å. The C(49)-C(52) bond length is 1.50 Å. In the fiftieth C site, C(50) is bonded in a distorted single-bond geometry to one C(45), one C(49), and one H(19) atom. The C(50)-H(19) bond length is 0.93 Å. In the fifty-first C site, C(51) is bonded in a distorted bent 120 degrees geometry to one C(47), one O(22), and one O(23) atom. The C(51)-O(22) bond length is 1.27 Å. The C(51)-O(23) bond length is 1.24 Å. In the fifty-second C site, C(52) is bonded in a distorted bent 120 degrees geometry to one C(49), one O(24), and one O(25) atom. The C(52)-O(24) bond length is 1.28 Å. The C(52)-O(25) bond length is 1.25 Å. In the fifty-third C site, C(53) is bonded in a linear geometry to one C(37) and one C(54) atom. The C(53)-C(54) bond length is 1.21 Å. In the fifty-fourth C site, C(54) is bonded in a linear geometry to one C(45) and one C(53) atom. In the fifty-fifth C site, C(55) is bonded in a trigonal planar geometry to one C(56), one C(60), and one C(71) atom. The C(55)-C(56) bond length is 1.38 Å. The C(55)-C(60) bond length is 1.42 Å. The C(55)-C(71) bond length is 1.43 Å. In the fifty-sixth C site, C(56) is bonded in a distorted single-bond geometry to one C(55), one C(57), and one H(20) atom. The C(56)-C(57) bond length is 1.36 Å. The C(56)-H(20) bond length is 0.93 Å. In the fifty-seventh C site, C(57) is bonded in a trigonal planar geometry to one C(56), one C(58), and one C(61) atom. The C(57)-C(58) bond length is 1.40 Å. The C(57)-C(61) bond length is 1.55 Å. In the fifty-eighth C site, C(58) is bonded in a distorted single-bond geometry to one C(57), one C(59), and one H(21) atom. The C(58)-C(59) bond length is 1.40 Å. The C(58)-H(21) bond length is 0.93 Å. In the fifty-ninth C site, C(59) is bonded in a trigonal planar geometry to one C(58), one C(60), and one C(62) atom. The C(59)-C(60) bond length is 1.38 Å. The C(59)-C(62) bond length is 1.50 Å. In the sixtieth C site, C(60) is bonded in a distorted single-bond geometry to one C(55), one C(59), and one H(22) atom. The C(60)-H(22) bond length is 0.93 Å. In the sixty-first C site, C(61) is bonded in a distorted bent 120 degrees geometry to one C(57), one O(26), and one O(27) atom. The C(61)-O(26) bond length is 1.27 Å. The C(61)-O(27) bond length is 1.24 Å. In the sixty-second C site, C(62) is bonded in a distorted bent 120 degrees geometry to one C(59), one O(28), and one O(29) atom. The C(62)-O(28) bond length is 1.23 Å. The C(62)-O(29) bond length is 1.27 Å. In the sixty-third C site, C(63) is bonded in a trigonal planar geometry to one C(64), one C(68), and one C(72) atom. The C(63)-C(64) bond length is 1.39 Å. The C(63)-C(68) bond length is 1.41 Å. The C(63)-C(72) bond length is 1.44 Å. In the sixty-fourth C site, C(64) is bonded in a distorted single-bond geometry to one C(63), one C(65), and one H(23) atom. The C(64)-C(65) bond length is 1.39 Å. The C(64)-H(23) bond length is 0.93 Å. In the sixty-fifth C site, C(65) is bonded in a trigonal planar geometry to one C(64), one C(66), and one C(69) atom. The C(65)-C(66) bond length is 1.36 Å. The C(65)-C(69) bond length is 1.50 Å. In the sixty-sixth C site, C(66) is bonded in a distorted single-bond geometry to one C(65), one C(67), and one H(24) atom. The C(66)-C(67) bond length is 1.39 Å. The C(66)-H(24) bond length is 0.93 Å. In the sixty-seventh C site, C(67) is bonded in a trigonal planar geometry to one C(66), one C(68), and one C(70) atom. The C(67)-C(68) bond length is 1.38 Å. The C(67)-C(70) bond length is 1.50 Å. In the sixty-eighth C site, C(68) is bonded in a distorted single-bond geometry to one C(63), one C(67), and one H(25) atom. The C(68)-H(25) bond length is 0.93 Å. In the sixty-ninth C site, C(69) is bonded in a bent 120 degrees geometry to one C(65), one O(30), and one O(31) atom. The C(69)-O(30) bond length is 1.24 Å. The C(69)-O(31) bond length is 1.23 Å. In the seventieth C site, C(70) is bonded in a bent 120 degrees geometry to one C(67), one O(32), and one O(33) atom. The C(70)-O(32) bond length is 1.25 Å. The C(70)-O(33) bond length is 1.28 Å. In the seventy-first C site, C(71) is bonded in a linear geometry to one C(55) and one C(72) atom. The C(71)-C(72) bond length is 1.18 Å. In the seventy-second C site, C(72) is bonded in a linear geometry to one C(63) and one C(71) atom. In the seventy-third C site, C(73) is bonded in a trigonal planar geometry to one C(74), one C(78), and one C(89) atom. The C(73)-C(74) bond length is 1.41 Å. The C(73)-C(78) bond length is 1.37 Å. The C(73)-C(89) bond length is 1.42 Å. In the seventy-fourth C site, C(74) is bonded in a distorted single-bond geometry to one C(73), one C(75), and one H(27) atom. The C(74)-C(75) bond length is 1.38 Å. The C(74)-H(27) bond length is 0.93 Å. In the seventy-fifth C site, C(75) is bonded in a trigonal planar geometry to one C(74), one C(76), and one C(79) atom. The C(75)-C(76) bond length is 1.37 Å. The C(75)-C(79) bond length is 1.51 Å. In the seventy-sixth C site, C(76) is bonded in a distorted single-bond geometry to one C(75), one C(77), and one H(28) atom. The C(76)-C(77) bond length is 1.39 Å. The C(76)-H(28) bond length is 0.93 Å. In the seventy-seventh C site, C(77) is bonded in a trigonal planar geometry to one C(76), one C(78), and one C(80) atom. The C(77)-C(78) bond length is 1.40 Å. The C(77)-C(80) bond length is 1.49 Å. In the seventy-eighth C site, C(78) is bonded in a distorted single-bond geometry to one C(73), one C(77), and one H(29) atom. The C(78)-H(29) bond length is 0.93 Å. In the seventy-ninth C site, C(79) is bonded in a 2-coordinate geometry to one C(75), one O(35), and one O(36) atom. The C(79)-O(35) bond length is 1.27 Å. The C(79)-O(36) bond length is 1.26 Å. In the eightieth C site, C(80) is bonded in a bent 120 degrees geometry to one C(77), one O(37), and one O(38) atom. The C(80)-O(37) bond length is 1.23 Å. The C(80)-O(38) bond length is 1.28 Å. In the eighty-first C site, C(81) is bonded in a trigonal planar geometry to one C(82), one C(86), and one C(90) atom. The C(81)-C(82) bond length is 1.40 Å. The C(81)-C(86) bond length is 1.37 Å. The C(81)-C(90) bond length is 1.45 Å. In the eighty-second C site, C(82) is bonded in a distorted single-bond geometry to one C(81), one C(83), and one H(30) atom. The C(82)-C(83) bond length is 1.37 Å. The C(82)-H(30) bond length is 0.93 Å. In the eighty-third C site, C(83) is bonded in a trigonal planar geometry to one C(82), one C(84), and one C(87) atom. The C(83)-C(84) bond length is 1.40 Å. The C(83)-C(87) bond length is 1.50 Å. In the eighty-fourth C site, C(84) is bonded in a distorted single-bond geometry to one C(83), one C(85), and one H(31) atom. The C(84)-C(85) bond length is 1.38 Å. The C(84)-H(31) bond length is 0.93 Å. In the eighty-fifth C site, C(85) is bonded in a trigonal planar geometry to one C(84), one C(86), and one C(88) atom. The C(85)-C(86) bond length is 1.38 Å. The C(85)-C(88) bond length is 1.51 Å. In the eighty-sixth C site, C(86) is bonded in a distorted single-bond geometry to one C(81), one C(85), and one H(32) atom. The C(86)-H(32) bond length is 0.93 Å. In the eighty-seventh C site, C(87) is bonded in a bent 120 degrees geometry to one C(83), one O(39), and one O(40) atom. The C(87)-O(39) bond length is 1.23 Å. The C(87)-O(40) bond length is 1.29 Å. In the eighty-eighth C site, C(88) is bonded in a distorted bent 120 degrees geometry to one C(85), one O(41), and one O(42) atom. The C(88)-O(41) bond length is 1.22 Å. The C(88)-O(42) bond length is 1.28 Å. In the eighty-ninth C site, C(89) is bonded in a linear geometry to one C(73) and one C(90) atom. The C(89)-C(90) bond length is 1.18 Å. In the ninetieth C site, C(90) is bonded in a linear geometry to one C(81) and one C(89) atom. There are thirty-four inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(9) atom. The H(1)-O(9) bond length is 0.85 Å. In the second H site, H(2) is bonded in a single-bond geometry to one C(2) atom. In the third H site, H(3) is bonded in a single-bond geometry to one C(4) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one C(6) atom. In the fifth H site, H(5) is bonded in a single-bond geometry to one C(10) atom. In the sixth H site, H(6) is bonded in a single-bond geometry to one C(12) atom. In the seventh H site, H(7) is bonded in a single-bond geometry to one C(14) 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(22) atom. In the tenth H site, H(10) is bonded in a single-bond geometry to one C(24) atom. In the eleventh H site, H(11) is bonded in a single-bond geometry to one C(28) atom. In the twelfth H site, H(12) is bonded in a single-bond geometry to one C(30) atom. In the thirteenth H site, H(13) is bonded in a single-bond geometry to one C(32) atom. In the fourteenth H site, H(14) is bonded in a single-bond geometry to one C(38) atom. In the fifteenth H site, H(15) is bonded in a single-bond geometry to one C(40) atom. In the sixteenth H site, H(16) is bonded in a single-bond geometry to one C(42) atom. In the seventeenth H site, H(17) is bonded in a single-bond geometry to one C(46) atom. In the eighteenth H site, H(18) is bonded in a single-bond geometry to one C(48) atom. In the nineteenth H site, H(19) is bonded in a single-bond geometry to one C(50) atom. In the twentieth H site, H(20) is bonded in a single-bond geometry to one C(56) atom. In the twenty-first H site, H(21) is bonded in a single-bond geometry to one C(58) atom. In the twenty-second H site, H(22) is bonded in a single-bond geometry to one C(60) atom. In the twenty-third H site, H(23) is bonded in a single-bond geometry to one C(64) atom. In the twenty-fourth H site, H(24) is bonded in a single-bond geometry to one C(66) atom. In the twenty-fifth H site, H(25) is bonded in a single-bond geometry to one C(68) atom. In the twenty-sixth H site, H(26) is bonded in a single-bond geometry to one O(34) atom. The H(26)-O(34) bond length is 0.85 Å. In the twenty-seventh H site, H(27) is bonded in a single-bond geometry to one C(74) atom. In the twenty-eighth H site, H(28) is bonded in a single-bond geometry to one C(76) atom. In the twenty-ninth H site, H(29) is bonded in a single-bond geometry to one C(78) atom. In the thirtieth H site, H(30) is bonded in a single-bond geometry to one C(82) atom. In the thirty-first H site, H(31) is bonded in a single-bond geometry to one C(84) atom. In the thirty-second H site, H(32) is bonded in a single-bond geometry to one C(86) atom. In the thirty-third H site, H(33) is bonded in a single-bond geometry to one O(43) atom. The H(33)-O(43) bond length is 0.85 Å. In the thirty-fourth H site, H(34) is bonded in a single-bond geometry to one O(44) atom. The H(34)-O(44) bond length is 0.85 Å. There are forty-four inequivalent O sites. In the first O site, O(1) is bonded in a single-bond geometry to one C(7) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one Zn(9) and one C(7) atom. In the third O site, O(3) is bonded in a distorted bent 120 degrees geometry to one Zn(7) and one C(8) atom. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to one Zn(9) and one C(8) atom. In the fifth O site, O(5) is bonded in a single-bond geometry to one C(15) atom. In the sixth O site, O(6) is bonded in a bent 120 degrees geometry to one Zn(4) and one C(15) atom. In the seventh O site, O(7) is bonded in a bent 120 degrees geometry to one Zn(5) and one C(16) atom. In the eighth O site, O(8) is bonded in a bent 120 degrees geometry to one Zn(4) and one C(16) atom. In the ninth O site, O(9) is bonded in a distorted single-bond geometry to one Zn(1), one Zn(2), one Zn(3), and one H(1) atom. In the tenth O site, O(10) is bonded in a distorted bent 150 degrees geometry to one Zn(2) and one C(25) atom. In the eleventh O site, O(11) is bonded in a bent 120 degrees geometry to one Zn(3) and one C(25) atom. In the twelfth O site, O(12) is bonded in a bent 120 degrees geometry to one Zn(6) and one C(26) atom. In the thirteenth O site, O(13) is bonded in a distorted bent 150 degrees geometry to one Zn(4) and one C(26) atom. In the fourteenth O site, O(14) is bonded in a bent 120 degrees geometry to one Zn(8) and one C(33) atom. In the fifteenth O site, O(15) is bonded in a bent 120 degrees geometry to one Zn(9) and one C(33) atom. In the sixteenth O site, O(16) is bonded in a single-bond geometry to one C(34) atom. In the seventeenth O site, O(42) is bonded in a bent 120 degrees geometry to one Zn(2) and one C(88) atom. In the eighteenth O site, O(43) is bonded in a distorted single-bond geometry to one Zn(7), one Zn(8), one Zn(9), and one H(33) atom. In the nineteenth O site, O(44) is bonded in a distorted single-bond geometry to one Zn(10), one Zn(11), one Zn(12), and one H(34) atom. In the twentieth O site, O(17) is bonded in a bent 120 degrees geometry to one Zn(10) and one C(34) atom. In the twenty-first O site, O(19) is bonded in a bent 120 degrees geometry to one Zn(3) and one C(43) atom. In the twenty-second O site, O(20) is bonded in a single-bond geometry to one C(44) atom. In the twenty-third O site, O(21) is bonded in a bent 120 degrees geometry to one Zn(3) and one C(44) atom. In the twenty-fourth O site, O(22) is bonded in a bent 120 degrees geometry to one Zn(11) and one C(51) atom. In the twenty-fifth O site, O(23) is bonded in a bent 120 degrees geometry to one Zn(10) and one C(51) atom. In the twenty-sixth O site, O(18) is bonded in a distorted bent 120 degrees geometry to one Zn(1) and one C(43) atom. In the twenty-seventh O site, O(24) is bonded in a bent 120 degrees geometry to one Zn(12) and one C(52) atom. In the twenty-eighth O site, O(25) is bonded in a distorted bent 150 degrees geometry to one Zn(10) and one C(52) atom. In the twenty-ninth O site, O(26) is bonded in a distorted bent 120 degrees geometry to one Zn(12) and one C(61) atom. In the thirtieth O site, O(27) is bonded in a bent 120 degrees geometry to one Zn(11) and one C(61) atom. In the thirty-first O site, O(28) is bonded in a distorted bent 150 degrees geometry to one Zn(7) and one C(62) atom. In the thirty-second O site, O(29) is bonded in a bent 120 degrees geometry to one Zn(8) and one C(62) atom. In the thirty-third O site, O(30) is bonded in a bent 120 degrees geometry to one Zn(11) and one C(69) atom. In the thirty-fourth O site, O(31) is bonded in a single-bond geometry to one C(69) atom. In the thirty-fifth O site, O(32) is bonded in a distorted single-bond geometry to one Zn(8) and one C(70) atom. In the thirty-sixth O site, O(33) is bonded in a water-like geometry to one Zn(8) and one C(70) atom. In the thirty-seventh O site, O(34) is bonded in a distorted single-bond geometry to one Zn(4), one Zn(5), one Zn(6), and one H(26) atom. In the thirty-eighth O site, O(35) is bonded in a bent 120 degrees geometry to one Zn(5) and one C(79) atom. In the thirty-ninth O site, O(36) is bonded in a distorted bent 120 degrees geometry to one Zn(6) and one C(79) atom. In the fortieth O site, O(37) is bonded in a single-bond geometry to one C(80) atom. In the forty-first O site, O(38) is bonded in a water-like geometry to one Zn(2) and one C(80) atom. In the forty-second O site, O(39) is bonded in a single-bond geometry to one C(87) atom. In the forty-third O site, O(40) is bonded in a water-like geometry to one Zn(5) and one C(87) atom. In the forty-fourth O site, O(41) is bonded in a distorted single-bond geometry to one Zn(1) and one C(88) atom. Linkers: 20 [O]C(=O)c1cc(C#Cc2cc(C([O])=O)cc(C([O])=O)c2)cc(C([O])=O)c1. Metal clusters: 4 O=[C]O[Zn]1O[C]O[Zn]O[C]O[Zn@](O)(O[C]=O)O[C]O1 ,8 O=[C]O[Zn]1O[C]O[Zn](O)O[C]O[Zn](O[C]=O)O[C]O1 ,4 O=[C]O[Zn]1O[C]O[Zn]O[C]O[Zn@@](O)(O[C]=O)O[C]O1. The MOF has largest included sphere 11.86 A, density 0.69 g/cm3, surface area 3816.10 m2/g, accessible volume 1.04 cm3/g