CoCu4B2C49H46(N9O8)2(CH2)2 crystallizes in the monoclinic C2 space group. The structure consists of eight 02329_fluka molecules inside a CoCu4B2C49H46(N9O8)2 framework. In the CoCu4B2C49H46(N9O8)2 framework, Co(1) is bonded in an octahedral geometry to one N(1), one N(10), one N(13), one N(16), one N(4), and one N(7) atom. The Co(1)-N(1) bond length is 2.13 Å. The Co(1)-N(10) bond length is 2.12 Å. The Co(1)-N(13) bond length is 2.17 Å. The Co(1)-N(16) bond length is 2.07 Å. The Co(1)-N(4) bond length is 2.19 Å. The Co(1)-N(7) bond length is 2.06 Å. There are four inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a distorted square pyramidal geometry to one N(3), one O(1), one O(3), one O(5), and one O(7) atom. The Cu(1)-N(3) bond length is 2.16 Å. The Cu(1)-O(1) bond length is 2.02 Å. The Cu(1)-O(3) bond length is 1.97 Å. The Cu(1)-O(5) bond length is 1.96 Å. The Cu(1)-O(7) bond length is 1.96 Å. In the second Cu site, Cu(2) is bonded in a distorted trigonal bipyramidal geometry to one N(15), one O(2), one O(4), one O(6), and one O(8) atom. The Cu(2)-N(15) bond length is 2.16 Å. The Cu(2)-O(2) bond length is 1.95 Å. The Cu(2)-O(4) bond length is 1.96 Å. The Cu(2)-O(6) bond length is 1.96 Å. The Cu(2)-O(8) bond length is 1.95 Å. In the third Cu site, Cu(3) is bonded in a distorted square pyramidal geometry to one N(6), one O(11), one O(13), one O(15), and one O(9) atom. The Cu(3)-N(6) bond length is 2.09 Å. The Cu(3)-O(11) bond length is 2.00 Å. The Cu(3)-O(13) bond length is 1.95 Å. The Cu(3)-O(15) bond length is 1.99 Å. The Cu(3)-O(9) bond length is 1.89 Å. In the fourth Cu site, Cu(4) is bonded in a distorted trigonal bipyramidal geometry to one N(12), one O(10), one O(12), one O(14), and one O(16) atom. The Cu(4)-N(12) bond length is 2.18 Å. The Cu(4)-O(10) bond length is 1.96 Å. The Cu(4)-O(12) bond length is 1.92 Å. The Cu(4)-O(14) bond length is 2.04 Å. The Cu(4)-O(16) bond length is 1.95 Å. There are two inequivalent B sites. In the first B site, B(1) is bonded in a tetrahedral geometry to one N(2), one N(5), one N(8), and one H(1) atom. The B(1)-N(2) bond length is 1.55 Å. The B(1)-N(5) bond length is 1.46 Å. The B(1)-N(8) bond length is 1.52 Å. The B(1)-H(1) bond length is 1.00 Å. In the second B site, B(2) is bonded in a tetrahedral geometry to one N(11), one N(14), one N(17), and one H(8) atom. The B(2)-N(11) bond length is 1.53 Å. The B(2)-N(14) bond length is 1.53 Å. The B(2)-N(17) bond length is 1.52 Å. The B(2)-H(8) bond length is 1.00 Å. There are forty-nine inequivalent C sites. In the first C site, C(1) is bonded in a trigonal planar geometry to one N(1), one N(3), and one H(2) atom. The C(1)-N(1) bond length is 1.30 Å. The C(1)-N(3) bond length is 1.32 Å. The C(1)-H(2) bond length is 0.95 Å. In the second C site, C(2) is bonded in a trigonal planar geometry to one N(2), one N(3), and one H(3) atom. The C(2)-N(2) bond length is 1.37 Å. The C(2)-N(3) bond length is 1.38 Å. The C(2)-H(3) bond length is 0.95 Å. In the third C site, C(3) is bonded in a trigonal planar geometry to one N(4), one N(6), and one H(4) atom. The C(3)-N(4) bond length is 1.29 Å. The C(3)-N(6) bond length is 1.36 Å. The C(3)-H(4) bond length is 0.95 Å. In the fourth C site, C(4) is bonded in a trigonal planar geometry to one N(5), one N(6), and one H(5) atom. The C(4)-N(5) bond length is 1.34 Å. The C(4)-N(6) bond length is 1.35 Å. The C(4)-H(5) bond length is 0.95 Å. In the fifth C site, C(5) is bonded in a trigonal planar geometry to one N(7), one N(9), and one H(6) atom. The C(5)-N(7) bond length is 1.36 Å. The C(5)-N(9) bond length is 1.32 Å. The C(5)-H(6) bond length is 0.95 Å. In the sixth C site, C(6) is bonded in a trigonal planar geometry to one N(8), one N(9), and one H(7) atom. The C(6)-N(8) bond length is 1.40 Å. The C(6)-N(9) bond length is 1.33 Å. The C(6)-H(7) bond length is 0.95 Å. In the seventh C site, C(7) is bonded in a trigonal planar geometry to one N(10), one N(12), and one H(9) atom. The C(7)-N(10) bond length is 1.34 Å. The C(7)-N(12) bond length is 1.36 Å. The C(7)-H(9) bond length is 0.95 Å. In the eighth C site, C(8) is bonded in a trigonal planar geometry to one N(11), one N(12), and one H(10) atom. The C(8)-N(11) bond length is 1.36 Å. The C(8)-N(12) bond length is 1.35 Å. The C(8)-H(10) bond length is 0.95 Å. In the ninth C site, C(9) is bonded in a trigonal planar geometry to one N(13), one N(15), and one H(11) atom. The C(9)-N(13) bond length is 1.29 Å. The C(9)-N(15) bond length is 1.31 Å. The C(9)-H(11) bond length is 0.95 Å. In the tenth C site, C(10) is bonded in a trigonal planar geometry to one N(14), one N(15), and one H(12) atom. The C(10)-N(14) bond length is 1.35 Å. The C(10)-N(15) bond length is 1.37 Å. The C(10)-H(12) bond length is 0.95 Å. In the eleventh C site, C(11) is bonded in a trigonal planar geometry to one N(16), one N(18), and one H(13) atom. The C(11)-N(16) bond length is 1.33 Å. The C(11)-N(18) bond length is 1.37 Å. The C(11)-H(13) bond length is 0.95 Å. In the twelfth C site, C(12) is bonded in a trigonal planar geometry to one N(17), one N(18), and one H(14) atom. The C(12)-N(17) bond length is 1.38 Å. The C(12)-N(18) bond length is 1.32 Å. The C(12)-H(14) bond length is 0.95 Å. In the thirteenth C site, C(13) is bonded in a distorted bent 120 degrees geometry to one C(14), one O(1), and one O(2) atom. The C(13)-C(14) bond length is 1.51 Å. The C(13)-O(1) bond length is 1.26 Å. The C(13)-O(2) bond length is 1.19 Å. In the fourteenth C site, C(14) is bonded in a tetrahedral geometry to one C(13), one C(15), one C(16), and one C(17) atom. The C(14)-C(15) bond length is 1.50 Å. The C(14)-C(16) bond length is 1.41 Å. The C(14)-C(17) bond length is 1.52 Å. In the fifteenth C site, C(15) is bonded in a single-bond geometry to one C(14) atom. In the sixteenth C site, C(16) is bonded in a single-bond geometry to one C(14) atom. In the seventeenth C site, C(17) is bonded in a trigonal planar geometry to one C(14), one C(18), and one C(50) atom. The C(17)-C(18) bond length is 1.33 Å. The C(17)-C(50) bond length is 1.52 Å. In the eighteenth C site, C(18) is bonded in a single-bond geometry to one C(17) atom. In the nineteenth C site, C(19) is bonded in a distorted bent 120 degrees geometry to one O(3) and one O(4) atom. The C(19)-O(3) bond length is 1.23 Å. The C(19)-O(4) bond length is 1.24 Å. In the twentieth C site, C(20) is bonded in a single-bond geometry to one C(22) and one H(15) atom. The C(20)-C(22) bond length is 1.50 Å. The C(20)-H(15) bond length is 1.00 Å. In the twenty-first C site, C(22) is bonded in a tetrahedral geometry to one C(20), one C(23), one C(24), and one C(32) atom. The C(22)-C(23) bond length is 1.56 Å. The C(22)-C(24) bond length is 1.59 Å. The C(22)-C(32) bond length is 1.57 Å. In the twenty-second C site, C(23) is bonded in a trigonal non-coplanar geometry to one C(22); one H(19); and two equivalent H(18,20,21,23) atoms. The C(23)-H(19) bond length is 0.98 Å. Both C(23)-H(18,20,21,23) bond lengths are 0.98 Å. In the twenty-third C site, C(24) is bonded in a trigonal non-coplanar geometry to one C(22); one H(22); and two equivalent H(18,20,21,23) atoms. The C(24)-H(22) bond length is 0.98 Å. Both C(24)-H(18,20,21,23) bond lengths are 0.98 Å. In the twenty-fourth C site, C(25) is bonded in a distorted bent 120 degrees geometry to one C(26), one O(5), and one O(6) atom. The C(25)-C(26) bond length is 1.56 Å. The C(25)-O(5) bond length is 1.28 Å. The C(25)-O(6) bond length is 1.24 Å. In the twenty-fifth C site, C(26) is bonded in a trigonal non-coplanar geometry to one C(25), one C(27), and one C(28) atom. The C(26)-C(27) bond length is 1.51 Å. The C(26)-C(28) bond length is 1.60 Å. In the twenty-sixth C site, C(27) is bonded in a distorted water-like geometry to one C(26) and two equivalent H(24,25) atoms. Both C(27)-H(24,25) bond lengths are 0.99 Å. In the twenty-seventh C site, C(28) is bonded in a tetrahedral geometry to one C(26), one C(29), one C(30), and one C(43) atom. The C(28)-C(29) bond length is 1.40 Å. The C(28)-C(30) bond length is 1.52 Å. The C(28)-C(43) bond length is 1.53 Å. In the twenty-eighth C site, C(29) is bonded in a single-bond geometry to one C(28) atom. In the twenty-ninth C site, C(30) is bonded in a single-bond geometry to one C(28) atom. In the thirtieth C site, C(31) is bonded in a distorted bent 120 degrees geometry to one C(32), one O(7), and one O(8) atom. The C(31)-C(32) bond length is 1.56 Å. The C(31)-O(7) bond length is 1.24 Å. The C(31)-O(8) bond length is 1.27 Å. In the thirty-first C site, C(32) is bonded in a tetrahedral geometry to one C(22), one C(31), one C(33), and one C(34) atom. The C(32)-C(33) bond length is 1.43 Å. The C(32)-C(34) bond length is 1.64 Å. In the thirty-second C site, C(33) is bonded in a trigonal non-coplanar geometry to one C(32) and three equivalent H(26,27,28) atoms. All C(33)-H(26,27,28) bond lengths are 0.98 Å. In the thirty-third C site, C(34) is bonded in a distorted water-like geometry to one C(32) and two equivalent H(29,30) atoms. Both C(34)-H(29,30) bond lengths are 0.99 Å. In the thirty-fourth C site, C(35) is bonded in a distorted bent 120 degrees geometry to one C(36), one O(10), and one O(9) atom. The C(35)-C(36) bond length is 1.58 Å. The C(35)-O(10) bond length is 1.29 Å. The C(35)-O(9) bond length is 1.29 Å. In the thirty-fifth C site, C(36) is bonded in a tetrahedral geometry to one C(35), one C(37), one C(38), and one C(39) atom. The C(36)-C(37) bond length is 1.60 Å. The C(36)-C(38) bond length is 1.47 Å. The C(36)-C(39) bond length is 1.53 Å. In the thirty-sixth C site, C(37) is bonded in a distorted water-like geometry to one C(36), one H(31), and one H(32) atom. The C(37)-H(31) bond length is 0.99 Å. The C(37)-H(32) bond length is 0.99 Å. In the thirty-seventh C site, C(38) is bonded in a trigonal non-coplanar geometry to one C(36), one H(33), one H(34), and one H(35) atom. The C(38)-H(33) bond length is 0.98 Å. The C(38)-H(34) bond length is 0.98 Å. The C(38)-H(35) bond length is 0.98 Å. In the thirty-eighth C site, C(39) is bonded in a tetrahedral geometry to one C(36), one C(40), one C(41), and one C(47) atom. The C(39)-C(40) bond length is 1.56 Å. The C(39)-C(41) bond length is 1.43 Å. The C(39)-C(47) bond length is 1.54 Å. In the thirty-ninth C site, C(40) is bonded in a trigonal non-coplanar geometry to one C(39); one H(37); and two equivalent H(36,38) atoms. The C(40)-H(37) bond length is 0.98 Å. Both C(40)-H(36,38) bond lengths are 0.98 Å. In the fortieth C site, C(41) is bonded in a trigonal non-coplanar geometry to one C(39), one H(39), one H(40), and one H(41) atom. The C(41)-H(39) bond length is 0.98 Å. The C(41)-H(40) bond length is 0.98 Å. The C(41)-H(41) bond length is 0.98 Å. In the forty-first C site, C(42) is bonded in a distorted bent 120 degrees geometry to one C(43), one O(11), and one O(12) atom. The C(42)-C(43) bond length is 1.53 Å. The C(42)-O(11) bond length is 1.28 Å. The C(42)-O(12) bond length is 1.25 Å. In the forty-second C site, C(43) is bonded in a tetrahedral geometry to one C(28), one C(42), one C(44), and one C(45) atom. The C(43)-C(44) bond length is 1.62 Å. The C(43)-C(45) bond length is 1.43 Å. In the forty-third C site, C(44) is bonded in a water-like geometry to one C(43) and two equivalent H(42,43) atoms. Both C(44)-H(42,43) bond lengths are 0.99 Å. In the forty-fourth C site, C(45) is bonded in a trigonal non-coplanar geometry to one C(43); one H(44); and two equivalent H(45,46) atoms. The C(45)-H(44) bond length is 0.98 Å. Both C(45)-H(45,46) bond lengths are 0.98 Å. In the forty-fifth C site, C(46) is bonded in a distorted bent 120 degrees geometry to one O(13) and one O(14) atom. The C(46)-O(13) bond length is 1.24 Å. The C(46)-O(14) bond length is 1.28 Å. In the forty-sixth C site, C(47) is bonded in a single-bond geometry to one C(39) and one H(47) atom. The C(47)-H(47) bond length is 1.00 Å. In the forty-seventh C site, C(49) is bonded in a distorted bent 120 degrees geometry to one O(15) and one O(16) atom. The C(49)-O(15) bond length is 1.23 Å. The C(49)-O(16) bond length is 1.29 Å. In the forty-eighth C site, C(50) is bonded in a single-bond geometry to one C(17), one C(51), and one H(50) atom. The C(50)-C(51) bond length is 1.59 Å. The C(50)-H(50) bond length is 1.00 Å. In the forty-ninth C site, C(51) is bonded in a single-bond geometry to one C(50) atom. There are eighteen inequivalent N sites. In the first N site, N(1) is bonded in a 3-coordinate geometry to one Co(1), one C(1), and one N(2) atom. The N(1)-N(2) bond length is 1.42 Å. In the second N site, N(2) is bonded in a 3-coordinate geometry to one B(1), one C(2), and one N(1) atom. In the third N site, N(3) is bonded in a distorted trigonal non-coplanar geometry to one Cu(1), one C(1), and one C(2) atom. In the fourth N site, N(4) is bonded in a 3-coordinate geometry to one Co(1), one C(3), and one N(5) atom. The N(4)-N(5) bond length is 1.40 Å. In the fifth N site, N(5) is bonded in a 3-coordinate geometry to one B(1), one C(4), and one N(4) atom. In the sixth N site, N(6) is bonded in a distorted trigonal planar geometry to one Cu(3), one C(3), and one C(4) atom. In the seventh N site, N(7) is bonded in a 3-coordinate geometry to one Co(1), one C(5), and one N(8) atom. The N(7)-N(8) bond length is 1.32 Å. In the eighth N site, N(8) is bonded in a 3-coordinate geometry to one B(1), one C(6), and one N(7) atom. In the ninth N site, N(9) is bonded in a water-like geometry to one C(5) and one C(6) atom. In the tenth N site, N(10) is bonded in a 3-coordinate geometry to one Co(1), one C(7), and one N(11) atom. The N(10)-N(11) bond length is 1.37 Å. In the eleventh N site, N(11) is bonded in a 3-coordinate geometry to one B(2), one C(8), and one N(10) atom. In the twelfth N site, N(12) is bonded in a distorted trigonal planar geometry to one Cu(4), one C(7), and one C(8) atom. In the thirteenth N site, N(13) is bonded in a 3-coordinate geometry to one Co(1), one C(9), and one N(14) atom. The N(13)-N(14) bond length is 1.39 Å. In the fourteenth N site, N(14) is bonded in a 3-coordinate geometry to one B(2), one C(10), and one N(13) atom. In the fifteenth N site, N(15) is bonded in a distorted trigonal planar geometry to one Cu(2), one C(10), and one C(9) atom. In the sixteenth N site, N(16) is bonded in a 3-coordinate geometry to one Co(1), one C(11), and one N(17) atom. The N(16)-N(17) bond length is 1.34 Å. In the seventeenth N site, N(17) is bonded in a 3-coordinate geometry to one B(2), one C(12), and one N(16) atom. In the eighteenth N site, N(18) is bonded in a water-like geometry to one C(11) and one C(12) atom. There are thirty-six inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one B(1) atom. In the second H site, H(2) is bonded in a single-bond geometry to one C(1) atom. In the third H site, H(3) is bonded in a single-bond geometry to one C(2) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one C(3) atom. In the fifth H site, H(5) is bonded in a single-bond geometry to one C(4) atom. In the sixth H site, H(6) is bonded in a single-bond geometry to one C(5) atom. In the seventh H site, H(7) is bonded in a single-bond geometry to one C(6) atom. In the eighth H site, H(8) is bonded in a single-bond geometry to one B(2) atom. In the ninth H site, H(9) is bonded in a single-bond geometry to one C(7) atom. In the tenth H site, H(10) is bonded in a single-bond geometry to one C(8) atom. In the eleventh H site, H(11) is bonded in a single-bond geometry to one C(9) atom. In the twelfth H site, H(12) is bonded in a single-bond geometry to one C(10) atom. In the thirteenth H site, H(13) is bonded in a single-bond geometry to one C(11) atom. In the fourteenth H site, H(14) is bonded in a single-bond geometry to one C(12) atom. In the fifteenth H site, H(15) is bonded in a single-bond geometry to one C(20) atom. In the sixteenth H site, H(18,20,21,23) is bonded in a single-bond geometry to one C(23) atom. In the seventeenth H site, H(19) is bonded in a single-bond geometry to one C(23) atom. In the eighteenth H site, H(22) is bonded in a single-bond geometry to one C(24) atom. In the nineteenth H site, H(24,25) is bonded in a single-bond geometry to one C(27) atom. In the twentieth H site, H(26,27,28) is bonded in a single-bond geometry to one C(33) atom. In the twenty-first H site, H(29,30) is bonded in a single-bond geometry to one C(34) atom. In the twenty-second H site, H(31) is bonded in a single-bond geometry to one C(37) atom. In the twenty-third H site, H(32) is bonded in a single-bond geometry to one C(37) atom. In the twenty-fourth H site, H(33) is bonded in a single-bond geometry to one C(38) atom. In the twenty-fifth H site, H(34) is bonded in a single-bond geometry to one C(38) atom. In the twenty-sixth H site, H(35) is bonded in a single-bond geometry to one C(38) atom. In the twenty-seventh H site, H(36,38) is bonded in a single-bond geometry to one C(40) atom. In the twenty-eighth H site, H(37) is bonded in a single-bond geometry to one C(40) atom. In the twenty-ninth H site, H(39) is bonded in a single-bond geometry to one C(41) atom. In the thirtieth H site, H(40) is bonded in a single-bond geometry to one C(41) atom. In the thirty-first H site, H(41) is bonded in a single-bond geometry to one C(41) atom. In the thirty-second H site, H(42,43) is bonded in a single-bond geometry to one C(44) atom. In the thirty-third H site, H(44) is bonded in a single-bond geometry to one C(45) atom. In the thirty-fourth H site, H(45,46) is bonded in a single-bond geometry to one C(45) atom. In the thirty-fifth H site, H(47) is bonded in a single-bond geometry to one C(47) atom. In the thirty-sixth H site, H(50) is bonded in a single-bond geometry to one C(50) atom. There are sixteen inequivalent O sites. In the first O site, O(9) is bonded in a bent 120 degrees geometry to one Cu(3) and one C(35) atom. In the second O site, O(10) is bonded in a bent 120 degrees geometry to one Cu(4) and one C(35) atom. In the third O site, O(11) is bonded in a bent 120 degrees geometry to one Cu(3) and one C(42) atom. In the fourth O site, O(12) is bonded in a bent 120 degrees geometry to one Cu(4) and one C(42) atom. In the fifth O site, O(13) is bonded in a bent 120 degrees geometry to one Cu(3) and one C(46) atom. In the sixth O site, O(14) is bonded in a distorted bent 120 degrees geometry to one Cu(4) and one C(46) atom. In the seventh O site, O(15) is bonded in a bent 120 degrees geometry to one Cu(3) and one C(49) atom. In the eighth O site, O(16) is bonded in a bent 120 degrees geometry to one Cu(4) and one C(49) atom. In the ninth O site, O(1) is bonded in a distorted bent 120 degrees geometry to one Cu(1) and one C(13) atom. In the tenth O site, O(2) is bonded in a bent 120 degrees geometry to one Cu(2) and one C(13) atom. In the eleventh O site, O(3) is bonded in a bent 120 degrees geometry to one Cu(1) and one C(19) atom. In the twelfth O site, O(4) is bonded in a bent 120 degrees geometry to one Cu(2) and one C(19) atom. In the thirteenth O site, O(5) is bonded in a bent 120 degrees geometry to one Cu(1) and one C(25) atom. In the fourteenth O site, O(6) is bonded in a bent 120 degrees geometry to one Cu(2) and one C(25) atom. In the fifteenth O site, O(7) is bonded in a bent 120 degrees geometry to one Cu(1) and one C(31) atom. In the sixteenth O site, O(8) is bonded in a bent 120 degrees geometry to one Cu(2) and one C(31) atom. Linkers: 7 n1cnn(c1)[BH](n1ncnc1)n1ncnc1 ,1 N1=C[N]N([CH]1)[BH](n1ncnc1)n1ncnc1 ,8 CC1(C)[C@H](C([O])=O)CC[C@]1(C)C([O])=O ,4 [C]C1([C])[C](C([O])=O)CC[C@]1(C)C([O])=O ,4 [C][C@H](C(=[C])C([C])([C])C([O])=O)C([O])=O. Metal clusters: 4 [Co] ,8 [C]1O[Cu]234O[C]O[Cu]2(O1)(O[C]O3)O[C]O4. RCSR code: sql. The MOF has largest included sphere 6.18 A, density 1.24 g/cm3, surface area 4082.27 m2/g, accessible volume 0.35 cm3/g