Mn6Fe3C122H98Br12(N5O2)6(CH)10 crystallizes in the trigonal P3_2 space group. The structure consists of thirty 02329_fluka molecules inside a Mn6Fe3C122H98Br12(N5O2)6 framework. In the Mn6Fe3C122H98Br12(N5O2)6 framework, there are six inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a distorted octahedral geometry to one N(1), one N(2), one N(30), one N(5), one O(1), and one O(2) atom. The Mn(1)-N(1) bond length is 2.03 Å. The Mn(1)-N(2) bond length is 2.02 Å. The Mn(1)-N(30) bond length is 2.41 Å. The Mn(1)-N(5) bond length is 2.32 Å. The Mn(1)-O(1) bond length is 1.88 Å. The Mn(1)-O(2) bond length is 1.90 Å. In the second Mn site, Mn(2) is bonded in a distorted octahedral geometry to one N(29), one N(3), one N(4), one N(6), one O(3), and one O(4) atom. The Mn(2)-N(29) bond length is 2.42 Å. The Mn(2)-N(3) bond length is 2.02 Å. The Mn(2)-N(4) bond length is 2.02 Å. The Mn(2)-N(6) bond length is 2.34 Å. The Mn(2)-O(3) bond length is 1.87 Å. The Mn(2)-O(4) bond length is 1.89 Å. In the third Mn site, Mn(3) is bonded in a distorted octahedral geometry to one N(11), one N(12), one N(13), one N(9), one O(5), and one O(6) atom. The Mn(3)-N(11) bond length is 2.03 Å. The Mn(3)-N(12) bond length is 2.01 Å. The Mn(3)-N(13) bond length is 2.33 Å. The Mn(3)-N(9) bond length is 2.41 Å. The Mn(3)-O(5) bond length is 1.88 Å. The Mn(3)-O(6) bond length is 1.90 Å. In the fourth Mn site, Mn(4) is bonded in a distorted octahedral geometry to one N(10), one N(16), one N(17), one N(19), one O(7), and one O(8) atom. The Mn(4)-N(10) bond length is 2.42 Å. The Mn(4)-N(16) bond length is 2.03 Å. The Mn(4)-N(17) bond length is 2.01 Å. The Mn(4)-N(19) bond length is 2.33 Å. The Mn(4)-O(7) bond length is 1.87 Å. The Mn(4)-O(8) bond length is 1.89 Å. In the fifth Mn site, Mn(5) is bonded in a distorted octahedral geometry to one N(20), one N(21), one N(22), one N(27), one O(10), and one O(9) atom. The Mn(5)-N(20) bond length is 2.41 Å. The Mn(5)-N(21) bond length is 2.04 Å. The Mn(5)-N(22) bond length is 2.01 Å. The Mn(5)-N(27) bond length is 2.32 Å. The Mn(5)-O(10) bond length is 1.90 Å. The Mn(5)-O(9) bond length is 1.88 Å. In the sixth Mn site, Mn(6) is bonded in a distorted octahedral geometry to one N(18), one N(23), one N(24), one N(26), one O(11), and one O(12) atom. The Mn(6)-N(18) bond length is 2.42 Å. The Mn(6)-N(23) bond length is 2.02 Å. The Mn(6)-N(24) bond length is 2.02 Å. The Mn(6)-N(26) bond length is 2.33 Å. The Mn(6)-O(11) bond length is 1.88 Å. The Mn(6)-O(12) bond length is 1.90 Å. There are three inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in an octahedral geometry to one C(1), one C(2), one C(3), one C(4), one C(5), and one C(6) atom. The Fe(1)-C(1) bond length is 1.98 Å. The Fe(1)-C(2) bond length is 1.98 Å. The Fe(1)-C(3) bond length is 1.94 Å. The Fe(1)-C(4) bond length is 1.94 Å. The Fe(1)-C(5) bond length is 1.97 Å. The Fe(1)-C(6) bond length is 1.97 Å. In the second Fe site, Fe(2) is bonded in an octahedral geometry to one C(45), one C(46), one C(47), one C(67), one C(68), and one C(88) atom. The Fe(2)-C(45) bond length is 1.98 Å. The Fe(2)-C(46) bond length is 1.95 Å. The Fe(2)-C(47) bond length is 1.95 Å. The Fe(2)-C(67) bond length is 1.97 Å. The Fe(2)-C(68) bond length is 1.97 Å. The Fe(2)-C(88) bond length is 1.97 Å. In the third Fe site, Fe(3) is bonded in an octahedral geometry to one C(89), one C(90), one C(91), one C(92), one C(93), and one C(94) atom. The Fe(3)-C(89) bond length is 1.93 Å. The Fe(3)-C(90) bond length is 1.98 Å. The Fe(3)-C(91) bond length is 1.97 Å. The Fe(3)-C(92) bond length is 1.94 Å. The Fe(3)-C(93) bond length is 1.98 Å. The Fe(3)-C(94) bond length is 1.98 Å. There are one hundred and twenty-two inequivalent C sites. In the first C site, C(1) is bonded in a linear geometry to one Fe(1) and one N(5) atom. The C(1)-N(5) bond length is 1.16 Å. In the second C site, C(2) is bonded in a linear geometry to one Fe(1) and one N(6) atom. The C(2)-N(6) bond length is 1.15 Å. In the third C site, C(3) is bonded in a linear geometry to one Fe(1) and one N(7) atom. The C(3)-N(7) bond length is 1.15 Å. In the fourth C site, C(4) is bonded in a linear geometry to one Fe(1) and one N(8) atom. The C(4)-N(8) bond length is 1.14 Å. In the fifth C site, C(5) is bonded in a linear geometry to one Fe(1) and one N(9) atom. The C(5)-N(9) bond length is 1.15 Å. In the sixth C site, C(6) is bonded in a linear geometry to one Fe(1) and one N(10) atom. The C(6)-N(10) bond length is 1.15 Å. In the seventh C site, C(7) is bonded in a distorted trigonal planar geometry to one C(12), one C(8), and one O(1) atom. The C(7)-C(12) bond length is 1.41 Å. The C(7)-C(8) bond length is 1.40 Å. The C(7)-O(1) bond length is 1.33 Å. In the eighth C site, C(8) is bonded in a distorted single-bond geometry to one C(7) and one H(1) atom. The C(8)-H(1) bond length is 0.95 Å. In the ninth C site, C(9) is bonded in a single-bond geometry to one C(10) and one H(2) atom. The C(9)-C(10) bond length is 1.40 Å. The C(9)-H(2) bond length is 0.95 Å. In the tenth C site, C(10) is bonded in a trigonal planar geometry to one C(11), one C(9), and one Br(1) atom. The C(10)-C(11) bond length is 1.36 Å. The C(10)-Br(1) bond length is 1.90 Å. In the eleventh C site, C(11) is bonded in a single-bond geometry to one C(10), one C(12), and one H(3) atom. The C(11)-C(12) bond length is 1.41 Å. The C(11)-H(3) bond length is 0.95 Å. In the twelfth C site, C(12) is bonded in a trigonal planar geometry to one C(11), one C(13), and one C(7) atom. The C(12)-C(13) bond length is 1.44 Å. In the thirteenth C site, C(13) is bonded in a distorted bent 120 degrees geometry to one C(12), one N(1), and one H(4) atom. The C(13)-N(1) bond length is 1.29 Å. The C(13)-H(4) bond length is 0.95 Å. In the fourteenth C site, C(14) is bonded in a 3-coordinate geometry to one C(15); one N(1); and two equivalent H(5,6) atoms. The C(14)-C(15) bond length is 1.54 Å. The C(14)-N(1) bond length is 1.48 Å. Both C(14)-H(5,6) bond lengths are 0.99 Å. In the fifteenth C site, C(15) is bonded in a tetrahedral geometry to one C(14), one C(16), one C(24), and one C(25) atom. The C(15)-C(16) bond length is 1.54 Å. The C(15)-C(24) bond length is 1.53 Å. The C(15)-C(25) bond length is 1.53 Å. In the sixteenth C site, C(16) is bonded in a 3-coordinate geometry to one C(15); one N(2); and two equivalent H(7,8) atoms. The C(16)-N(2) bond length is 1.47 Å. Both C(16)-H(7,8) bond lengths are 0.99 Å. In the seventeenth C site, C(17) is bonded in a distorted bent 120 degrees geometry to one C(18), one N(2), and one H(9) atom. The C(17)-C(18) bond length is 1.44 Å. The C(17)-N(2) bond length is 1.29 Å. The C(17)-H(9) bond length is 0.95 Å. In the eighteenth C site, C(18) is bonded in a trigonal planar geometry to one C(17), one C(19), and one C(23) atom. The C(18)-C(19) bond length is 1.41 Å. The C(18)-C(23) bond length is 1.41 Å. In the nineteenth C site, C(19) is bonded in a distorted trigonal planar geometry to one C(18), one C(20), and one H(10) atom. The C(19)-C(20) bond length is 1.37 Å. The C(19)-H(10) bond length is 0.95 Å. In the twentieth C site, C(20) is bonded in a trigonal planar geometry to one C(19), one C(21), and one Br(2) atom. The C(20)-C(21) bond length is 1.38 Å. The C(20)-Br(2) bond length is 1.91 Å. In the twenty-first C site, C(21) is bonded in a distorted single-bond geometry to one C(20) and one H(11) atom. The C(21)-H(11) bond length is 0.95 Å. In the twenty-second C site, C(23) is bonded in a distorted single-bond geometry to one C(18) and one O(2) atom. The C(23)-O(2) bond length is 1.32 Å. In the twenty-third C site, C(24) is bonded in a trigonal non-coplanar geometry to one C(15) and three equivalent H(13,14,15,16,17,18) atoms. All C(24)-H(13,14,15,16,17,18) bond lengths are 0.98 Å. In the twenty-fourth C site, C(25) is bonded in a trigonal non-coplanar geometry to one C(15) and three equivalent H(13,14,15,16,17,18) atoms. All C(25)-H(13,14,15,16,17,18) bond lengths are 0.98 Å. In the twenty-fifth C site, C(26) is bonded in a distorted single-bond geometry to one C(31) and one O(3) atom. The C(26)-C(31) bond length is 1.39 Å. The C(26)-O(3) bond length is 1.33 Å. In the twenty-sixth C site, C(28) is bonded in a single-bond geometry to one C(29) and one H(20) atom. The C(28)-C(29) bond length is 1.39 Å. The C(28)-H(20) bond length is 0.95 Å. In the twenty-seventh C site, C(29) is bonded in a trigonal planar geometry to one C(28), one C(30), and one Br(3) atom. The C(29)-C(30) bond length is 1.36 Å. The C(29)-Br(3) bond length is 1.91 Å. In the twenty-eighth C site, C(30) is bonded in a single-bond geometry to one C(29), one C(31), and one H(21) atom. The C(30)-C(31) bond length is 1.41 Å. The C(30)-H(21) bond length is 0.95 Å. In the twenty-ninth C site, C(31) is bonded in a trigonal planar geometry to one C(26), one C(30), and one C(32) atom. The C(31)-C(32) bond length is 1.45 Å. In the thirtieth C site, C(32) is bonded in a distorted bent 120 degrees geometry to one C(31), one N(3), and one H(22) atom. The C(32)-N(3) bond length is 1.29 Å. The C(32)-H(22) bond length is 0.95 Å. In the thirty-first C site, C(33) is bonded in a 3-coordinate geometry to one C(34); one N(3); and two equivalent H(23,24) atoms. The C(33)-C(34) bond length is 1.53 Å. The C(33)-N(3) bond length is 1.47 Å. Both C(33)-H(23,24) bond lengths are 0.99 Å. In the thirty-second C site, C(34) is bonded in a tetrahedral geometry to one C(33), one C(35), one C(43), and one C(44) atom. The C(34)-C(35) bond length is 1.53 Å. The C(34)-C(43) bond length is 1.54 Å. The C(34)-C(44) bond length is 1.54 Å. In the thirty-third C site, C(35) is bonded in a 3-coordinate geometry to one C(34), one N(4), one H(25), and one H(26) atom. The C(35)-N(4) bond length is 1.47 Å. The C(35)-H(25) bond length is 0.99 Å. The C(35)-H(26) bond length is 0.99 Å. In the thirty-fourth C site, C(36) is bonded in a distorted bent 120 degrees geometry to one C(37), one N(4), and one H(27) atom. The C(36)-C(37) bond length is 1.44 Å. The C(36)-N(4) bond length is 1.28 Å. The C(36)-H(27) bond length is 0.95 Å. In the thirty-fifth C site, C(37) is bonded in a trigonal planar geometry to one C(36), one C(38), and one C(42) atom. The C(37)-C(38) bond length is 1.41 Å. The C(37)-C(42) bond length is 1.41 Å. In the thirty-sixth C site, C(38) is bonded in a distorted trigonal planar geometry to one C(37), one C(39), and one H(28) atom. The C(38)-C(39) bond length is 1.37 Å. The C(38)-H(28) bond length is 0.95 Å. In the thirty-seventh C site, C(39) is bonded in a trigonal planar geometry to one C(38), one C(40), and one Br(4) atom. The C(39)-C(40) bond length is 1.38 Å. The C(39)-Br(4) bond length is 1.91 Å. In the thirty-eighth C site, C(40) is bonded in a distorted single-bond geometry to one C(39) and one H(29) atom. The C(40)-H(29) bond length is 0.95 Å. In the thirty-ninth C site, C(42) is bonded in a distorted single-bond geometry to one C(37) and one O(4) atom. The C(42)-O(4) bond length is 1.33 Å. In the fortieth C site, C(43) is bonded in a trigonal non-coplanar geometry to one C(34) and three equivalent H(31,32,33,34,35,36) atoms. All C(43)-H(31,32,33,34,35,36) bond lengths are 0.98 Å. In the forty-first C site, C(44) is bonded in a trigonal non-coplanar geometry to one C(34) and three equivalent H(31,32,33,34,35,36) atoms. All C(44)-H(31,32,33,34,35,36) bond lengths are 0.98 Å. In the forty-second C site, C(45) is bonded in a linear geometry to one Fe(2) and one N(13) atom. The C(45)-N(13) bond length is 1.16 Å. In the forty-third C site, C(46) is bonded in a linear geometry to one Fe(2) and one N(14) atom. The C(46)-N(14) bond length is 1.15 Å. In the forty-fourth C site, C(47) is bonded in a linear geometry to one Fe(2) and one N(15) atom. The C(47)-N(15) bond length is 1.13 Å. In the forty-fifth C site, C(48) is bonded in a distorted trigonal planar geometry to one C(49), one C(53), and one O(5) atom. The C(48)-C(49) bond length is 1.42 Å. The C(48)-C(53) bond length is 1.42 Å. The C(48)-O(5) bond length is 1.33 Å. In the forty-sixth C site, C(49) is bonded in a distorted single-bond geometry to one C(48) and one H(37) atom. The C(49)-H(37) bond length is 0.95 Å. In the forty-seventh C site, C(50) is bonded in a single-bond geometry to one C(51) and one H(38) atom. The C(50)-C(51) bond length is 1.39 Å. The C(50)-H(38) bond length is 0.95 Å. In the forty-eighth C site, C(51) is bonded in a trigonal planar geometry to one C(50), one C(52), and one Br(5) atom. The C(51)-C(52) bond length is 1.37 Å. The C(51)-Br(5) bond length is 1.91 Å. In the forty-ninth C site, C(52) is bonded in a distorted single-bond geometry to one C(51), one C(53), and one H(39) atom. The C(52)-C(53) bond length is 1.41 Å. The C(52)-H(39) bond length is 0.95 Å. In the fiftieth C site, C(53) is bonded in a trigonal planar geometry to one C(48), one C(52), and one C(54) atom. The C(53)-C(54) bond length is 1.45 Å. In the fifty-first C site, C(54) is bonded in a distorted bent 120 degrees geometry to one C(53), one N(11), and one H(40) atom. The C(54)-N(11) bond length is 1.30 Å. The C(54)-H(40) bond length is 0.95 Å. In the fifty-second C site, C(55) is bonded in a 3-coordinate geometry to one C(56); one N(11); and two equivalent H(41,42) atoms. The C(55)-C(56) bond length is 1.52 Å. The C(55)-N(11) bond length is 1.48 Å. Both C(55)-H(41,42) bond lengths are 0.99 Å. In the fifty-third C site, C(56) is bonded in a tetrahedral geometry to one C(55), one C(57), one C(65), and one C(66) atom. The C(56)-C(57) bond length is 1.53 Å. The C(56)-C(65) bond length is 1.55 Å. The C(56)-C(66) bond length is 1.53 Å. In the fifty-fourth C site, C(57) is bonded in a 3-coordinate geometry to one C(56); one N(12); and two equivalent H(43,44) atoms. The C(57)-N(12) bond length is 1.48 Å. Both C(57)-H(43,44) bond lengths are 0.99 Å. In the fifty-fifth C site, C(58) is bonded in a distorted bent 120 degrees geometry to one C(59), one N(12), and one H(45) atom. The C(58)-C(59) bond length is 1.44 Å. The C(58)-N(12) bond length is 1.29 Å. The C(58)-H(45) bond length is 0.95 Å. In the fifty-sixth C site, C(59) is bonded in a trigonal planar geometry to one C(58), one C(60), and one C(64) atom. The C(59)-C(60) bond length is 1.41 Å. The C(59)-C(64) bond length is 1.41 Å. In the fifty-seventh C site, C(60) is bonded in a distorted trigonal planar geometry to one C(59), one C(61), and one H(46) atom. The C(60)-C(61) bond length is 1.37 Å. The C(60)-H(46) bond length is 0.95 Å. In the fifty-eighth C site, C(61) is bonded in a trigonal planar geometry to one C(60), one C(62), and one Br(6) atom. The C(61)-C(62) bond length is 1.40 Å. The C(61)-Br(6) bond length is 1.91 Å. In the fifty-ninth C site, C(62) is bonded in a distorted single-bond geometry to one C(61) and one H(47) atom. The C(62)-H(47) bond length is 0.95 Å. In the sixtieth C site, C(64) is bonded in a distorted single-bond geometry to one C(59) and one O(6) atom. The C(64)-O(6) bond length is 1.33 Å. In the sixty-first C site, C(65) is bonded in a trigonal non-coplanar geometry to one C(56); one H(51,52,53,54); and two equivalent H(49,50) atoms. The C(65)-H(51,52,53,54) bond length is 0.98 Å. Both C(65)-H(49,50) bond lengths are 0.98 Å. In the sixty-second C site, C(66) is bonded in a trigonal non-coplanar geometry to one C(56) and three equivalent H(51,52,53,54) atoms. All C(66)-H(51,52,53,54) bond lengths are 0.98 Å. In the sixty-third C site, C(67) is bonded in a linear geometry to one Fe(2) and one N(18) atom. The C(67)-N(18) bond length is 1.16 Å. In the sixty-fourth C site, C(68) is bonded in a linear geometry to one Fe(2) and one N(19) atom. The C(68)-N(19) bond length is 1.16 Å. In the sixty-fifth C site, C(69) is bonded in a distorted single-bond geometry to one C(74) and one O(7) atom. The C(69)-C(74) bond length is 1.40 Å. The C(69)-O(7) bond length is 1.32 Å. In the sixty-sixth C site, C(71) is bonded in a single-bond geometry to one C(72) and one H(56) atom. The C(71)-C(72) bond length is 1.39 Å. The C(71)-H(56) bond length is 0.95 Å. In the sixty-seventh C site, C(72) is bonded in a trigonal planar geometry to one C(71), one C(73), and one Br(7) atom. The C(72)-C(73) bond length is 1.37 Å. The C(72)-Br(7) bond length is 1.90 Å. In the sixty-eighth C site, C(73) is bonded in a single-bond geometry to one C(72), one C(74), and one H(57) atom. The C(73)-C(74) bond length is 1.41 Å. The C(73)-H(57) bond length is 0.95 Å. In the sixty-ninth C site, C(74) is bonded in a trigonal planar geometry to one C(69), one C(73), and one C(75) atom. The C(74)-C(75) bond length is 1.45 Å. In the seventieth C site, C(75) is bonded in a distorted bent 120 degrees geometry to one C(74), one N(16), and one H(58) atom. The C(75)-N(16) bond length is 1.29 Å. The C(75)-H(58) bond length is 0.95 Å. In the seventy-first C site, C(76) is bonded in a 3-coordinate geometry to one C(77), one N(16), one H(59), and one H(60) atom. The C(76)-C(77) bond length is 1.53 Å. The C(76)-N(16) bond length is 1.47 Å. The C(76)-H(59) bond length is 0.99 Å. The C(76)-H(60) bond length is 0.99 Å. In the seventy-second C site, C(77) is bonded in a tetrahedral geometry to one C(76), one C(78), one C(86), and one C(87) atom. The C(77)-C(78) bond length is 1.54 Å. The C(77)-C(86) bond length is 1.54 Å. The C(77)-C(87) bond length is 1.53 Å. In the seventy-third C site, C(78) is bonded in a 3-coordinate geometry to one C(77), one N(17), one H(61), and one H(62) atom. The C(78)-N(17) bond length is 1.48 Å. The C(78)-H(61) bond length is 0.99 Å. The C(78)-H(62) bond length is 0.99 Å. In the seventy-fourth C site, C(79) is bonded in a distorted bent 120 degrees geometry to one C(80), one N(17), and one H(63) atom. The C(79)-C(80) bond length is 1.44 Å. The C(79)-N(17) bond length is 1.29 Å. The C(79)-H(63) bond length is 0.95 Å. In the seventy-fifth C site, C(80) is bonded in a trigonal planar geometry to one C(79), one C(81), and one C(85) atom. The C(80)-C(81) bond length is 1.40 Å. The C(80)-C(85) bond length is 1.41 Å. In the seventy-sixth C site, C(81) is bonded in a distorted single-bond geometry to one C(80), one C(82), and one H(64) atom. The C(81)-C(82) bond length is 1.38 Å. The C(81)-H(64) bond length is 0.95 Å. In the seventy-seventh C site, C(82) is bonded in a trigonal planar geometry to one C(81), one C(83), and one Br(8) atom. The C(82)-C(83) bond length is 1.40 Å. The C(82)-Br(8) bond length is 1.91 Å. In the seventy-eighth C site, C(83) is bonded in a distorted single-bond geometry to one C(82) and one H(65) atom. The C(83)-H(65) bond length is 0.95 Å. In the seventy-ninth C site, C(85) is bonded in a distorted single-bond geometry to one C(80) and one O(8) atom. The C(85)-O(8) bond length is 1.32 Å. In the eightieth C site, C(86) is bonded in a trigonal non-coplanar geometry to one C(77) and three equivalent H(67,68,69,70) atoms. All C(86)-H(67,68,69,70) bond lengths are 0.98 Å. In the eighty-first C site, C(87) is bonded in a trigonal non-coplanar geometry to one C(77); one H(67,68,69,70); and two equivalent H(71,72) atoms. The C(87)-H(67,68,69,70) bond length is 0.98 Å. Both C(87)-H(71,72) bond lengths are 0.98 Å. In the eighty-second C site, C(88) is bonded in a linear geometry to one Fe(2) and one N(20) atom. The C(88)-N(20) bond length is 1.15 Å. In the eighty-third C site, C(89) is bonded in a linear geometry to one Fe(3) and one N(25) atom. The C(89)-N(25) bond length is 1.16 Å. In the eighty-fourth C site, C(90) is bonded in a linear geometry to one Fe(3) and one N(26) atom. The C(90)-N(26) bond length is 1.15 Å. In the eighty-fifth C site, C(91) is bonded in a linear geometry to one Fe(3) and one N(27) atom. The C(91)-N(27) bond length is 1.16 Å. In the eighty-sixth C site, C(92) is bonded in a linear geometry to one Fe(3) and one N(28) atom. The C(92)-N(28) bond length is 1.15 Å. In the eighty-seventh C site, C(93) is bonded in a linear geometry to one Fe(3) and one N(29) atom. The C(93)-N(29) bond length is 1.15 Å. In the eighty-eighth C site, C(94) is bonded in a linear geometry to one Fe(3) and one N(30) atom. The C(94)-N(30) bond length is 1.15 Å. In the eighty-ninth C site, C(95) is bonded in a distorted single-bond geometry to one C(100) and one O(9) atom. The C(95)-C(100) bond length is 1.41 Å. The C(95)-O(9) bond length is 1.32 Å. In the ninetieth C site, C(97) is bonded in a single-bond geometry to one C(98) and one H(74) atom. The C(97)-C(98) bond length is 1.39 Å. The C(97)-H(74) bond length is 0.95 Å. In the ninety-first C site, C(98) is bonded in a trigonal planar geometry to one C(97), one C(99), and one Br(9) atom. The C(98)-C(99) bond length is 1.36 Å. The C(98)-Br(9) bond length is 1.90 Å. In the ninety-second C site, C(99) is bonded in a single-bond geometry to one C(100), one C(98), and one H(75) atom. The C(99)-C(100) bond length is 1.41 Å. The C(99)-H(75) bond length is 0.95 Å. In the ninety-third C site, C(100) is bonded in a trigonal planar geometry to one C(101), one C(95), and one C(99) atom. The C(100)-C(101) bond length is 1.46 Å. In the ninety-fourth C site, C(101) is bonded in a distorted bent 120 degrees geometry to one C(100), one N(21), and one H(76) atom. The C(101)-N(21) bond length is 1.29 Å. The C(101)-H(76) bond length is 0.95 Å. In the ninety-fifth C site, C(102) is bonded in a 3-coordinate geometry to one C(103); one N(21); and two equivalent H(77,78) atoms. The C(102)-C(103) bond length is 1.53 Å. The C(102)-N(21) bond length is 1.48 Å. Both C(102)-H(77,78) bond lengths are 0.99 Å. In the ninety-sixth C site, C(103) is bonded in a tetrahedral geometry to one C(102), one C(104), one C(112), and one C(113) atom. The C(103)-C(104) bond length is 1.52 Å. The C(103)-C(112) bond length is 1.54 Å. The C(103)-C(113) bond length is 1.53 Å. In the ninety-seventh C site, C(104) is bonded in a 3-coordinate geometry to one C(103); one N(22); and two equivalent H(79,80) atoms. The C(104)-N(22) bond length is 1.48 Å. Both C(104)-H(79,80) bond lengths are 0.99 Å. In the ninety-eighth C site, C(105) is bonded in a distorted bent 120 degrees geometry to one C(106), one N(22), and one H(81) atom. The C(105)-C(106) bond length is 1.45 Å. The C(105)-N(22) bond length is 1.28 Å. The C(105)-H(81) bond length is 0.95 Å. In the ninety-ninth C site, C(106) is bonded in a trigonal planar geometry to one C(105), one C(107), and one C(111) atom. The C(106)-C(107) bond length is 1.40 Å. The C(106)-C(111) bond length is 1.41 Å. In the one hundredth C site, C(107) is bonded in a distorted trigonal planar geometry to one C(106), one C(108), and one H(82) atom. The C(107)-C(108) bond length is 1.38 Å. The C(107)-H(82) bond length is 0.95 Å. In the one hundred and first C site, C(108) is bonded in a trigonal planar geometry to one C(107), one C(109), and one Br(10) atom. The C(108)-C(109) bond length is 1.38 Å. The C(108)-Br(10) bond length is 1.91 Å. In the one hundred and second C site, C(109) is bonded in a distorted single-bond geometry to one C(108) and one H(83) atom. The C(109)-H(83) bond length is 0.95 Å. In the one hundred and third C site, C(111) is bonded in a distorted single-bond geometry to one C(106) and one O(10) atom. The C(111)-O(10) bond length is 1.32 Å. In the one hundred and fourth C site, C(112) is bonded in a trigonal non-coplanar geometry to one C(103) and three equivalent H(85,86,87,88,89,90) atoms. All C(112)-H(85,86,87,88,89,90) bond lengths are 0.98 Å. In the one hundred and fifth C site, C(113) is bonded in a trigonal non-coplanar geometry to one C(103) and three equivalent H(85,86,87,88,89,90) atoms. All C(113)-H(85,86,87,88,89,90) bond lengths are 0.98 Å. In the one hundred and sixth C site, C(114) is bonded in a distorted single-bond geometry to one C(119) and one O(11) atom. The C(114)-C(119) bond length is 1.41 Å. The C(114)-O(11) bond length is 1.32 Å. In the one hundred and seventh C site, C(116) is bonded in a single-bond geometry to one C(117) and one H(92) atom. The C(116)-C(117) bond length is 1.40 Å. The C(116)-H(92) bond length is 0.95 Å. In the one hundred and eighth C site, C(117) is bonded in a trigonal planar geometry to one C(116), one C(118), and one Br(11) atom. The C(117)-C(118) bond length is 1.37 Å. The C(117)-Br(11) bond length is 1.90 Å. In the one hundred and ninth C site, C(118) is bonded in a single-bond geometry to one C(117), one C(119), and one H(93) atom. The C(118)-C(119) bond length is 1.41 Å. The C(118)-H(93) bond length is 0.95 Å. In the one hundred and tenth C site, C(119) is bonded in a trigonal planar geometry to one C(114), one C(118), and one C(120) atom. The C(119)-C(120) bond length is 1.44 Å. In the one hundred and eleventh C site, C(120) is bonded in a distorted bent 120 degrees geometry to one C(119), one N(23), and one H(94) atom. The C(120)-N(23) bond length is 1.30 Å. The C(120)-H(94) bond length is 0.95 Å. In the one hundred and twelfth C site, C(121) is bonded in a 3-coordinate geometry to one C(122), one N(23), one H(95), and one H(96) atom. The C(121)-C(122) bond length is 1.54 Å. The C(121)-N(23) bond length is 1.48 Å. The C(121)-H(95) bond length is 0.99 Å. The C(121)-H(96) bond length is 0.99 Å. In the one hundred and thirteenth C site, C(122) is bonded in a tetrahedral geometry to one C(121), one C(123), one C(131), and one C(132) atom. The C(122)-C(123) bond length is 1.53 Å. The C(122)-C(131) bond length is 1.53 Å. The C(122)-C(132) bond length is 1.53 Å. In the one hundred and fourteenth C site, C(123) is bonded in a 3-coordinate geometry to one C(122); one N(24); and two equivalent H(97,98) atoms. The C(123)-N(24) bond length is 1.48 Å. Both C(123)-H(97,98) bond lengths are 0.99 Å. In the one hundred and fifteenth C site, C(124) is bonded in a distorted bent 120 degrees geometry to one C(125), one N(24), and one H(99) atom. The C(124)-C(125) bond length is 1.45 Å. The C(124)-N(24) bond length is 1.29 Å. The C(124)-H(99) bond length is 0.95 Å. In the one hundred and sixteenth C site, C(125) is bonded in a trigonal planar geometry to one C(124), one C(126), and one C(130) atom. The C(125)-C(126) bond length is 1.41 Å. The C(125)-C(130) bond length is 1.41 Å. In the one hundred and seventeenth C site, C(126) is bonded in a distorted trigonal planar geometry to one C(125), one C(127), and one H(100) atom. The C(126)-C(127) bond length is 1.38 Å. The C(126)-H(100) bond length is 0.95 Å. In the one hundred and eighteenth C site, C(127) is bonded in a trigonal planar geometry to one C(126), one C(128), and one Br(12) atom. The C(127)-C(128) bond length is 1.38 Å. The C(127)-Br(12) bond length is 1.90 Å. In the one hundred and nineteenth C site, C(128) is bonded in a distorted single-bond geometry to one C(127) and one H(101) atom. The C(128)-H(101) bond length is 0.95 Å. In the one hundred and twentieth C site, C(130) is bonded in a distorted single-bond geometry to one C(125) and one O(12) atom. The C(130)-O(12) bond length is 1.33 Å. In the one hundred and twenty-first C site, C(131) is bonded in a trigonal non-coplanar geometry to one C(122); one H(104); and two equivalent H(103,105) atoms. The C(131)-H(104) bond length is 0.98 Å. Both C(131)-H(103,105) bond lengths are 0.98 Å. In the one hundred and twenty-second C site, C(132) is bonded in a trigonal non-coplanar geometry to one C(122); one H(106); and two equivalent H(107,108) atoms. The C(132)-H(106) bond length is 0.98 Å. Both C(132)-H(107,108) bond lengths are 0.98 Å. There are thirty inequivalent N sites. In the first N site, N(1) is bonded in a trigonal planar geometry to one Mn(1), one C(13), and one C(14) atom. In the second N site, N(2) is bonded in a trigonal planar geometry to one Mn(1), one C(16), and one C(17) atom. In the third N site, N(3) is bonded in a trigonal planar geometry to one Mn(2), one C(32), and one C(33) atom. In the fourth N site, N(4) is bonded in a trigonal planar geometry to one Mn(2), one C(35), and one C(36) atom. In the fifth N site, N(5) is bonded in a linear geometry to one Mn(1) and one C(1) atom. In the sixth N site, N(6) is bonded in a linear geometry to one Mn(2) and one C(2) atom. In the seventh N site, N(7) is bonded in a single-bond geometry to one C(3) atom. In the eighth N site, N(8) is bonded in a single-bond geometry to one C(4) atom. In the ninth N site, N(9) is bonded in a distorted bent 150 degrees geometry to one Mn(3) and one C(5) atom. In the tenth N site, N(10) is bonded in a bent 150 degrees geometry to one Mn(4) and one C(6) atom. In the eleventh N site, N(11) is bonded in a trigonal planar geometry to one Mn(3), one C(54), and one C(55) atom. In the twelfth N site, N(12) is bonded in a trigonal planar geometry to one Mn(3), one C(57), and one C(58) atom. In the thirteenth N site, N(13) is bonded in a linear geometry to one Mn(3) and one C(45) atom. In the fourteenth N site, N(14) is bonded in a single-bond geometry to one C(46) atom. In the fifteenth N site, N(15) is bonded in a single-bond geometry to one C(47) atom. In the sixteenth N site, N(16) is bonded in a trigonal planar geometry to one Mn(4), one C(75), and one C(76) atom. In the seventeenth N site, N(17) is bonded in a trigonal planar geometry to one Mn(4), one C(78), and one C(79) atom. In the eighteenth N site, N(18) is bonded in a bent 150 degrees geometry to one Mn(6) and one C(67) atom. In the nineteenth N site, N(19) is bonded in a linear geometry to one Mn(4) and one C(68) atom. In the twentieth N site, N(20) is bonded in a distorted bent 150 degrees geometry to one Mn(5) and one C(88) atom. In the twenty-first N site, N(21) is bonded in a trigonal planar geometry to one Mn(5), one C(101), and one C(102) atom. In the twenty-second N site, N(22) is bonded in a trigonal planar geometry to one Mn(5), one C(104), and one C(105) atom. In the twenty-third N site, N(23) is bonded in a trigonal planar geometry to one Mn(6), one C(120), and one C(121) atom. In the twenty-fourth N site, N(24) is bonded in a trigonal planar geometry to one Mn(6), one C(123), and one C(124) atom. In the twenty-fifth N site, N(25) is bonded in a single-bond geometry to one C(89) atom. In the twenty-sixth N site, N(26) is bonded in a linear geometry to one Mn(6) and one C(90) atom. In the twenty-seventh N site, N(27) is bonded in a linear geometry to one Mn(5) and one C(91) atom. In the twenty-eighth N site, N(28) is bonded in a single-bond geometry to one C(92) atom. In the twenty-ninth N site, N(29) is bonded in a bent 150 degrees geometry to one Mn(2) and one C(93) atom. In the thirtieth N site, N(30) is bonded in a distorted bent 150 degrees geometry to one Mn(1) and one C(94) atom. There are sixty-five inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one C(8) atom. In the second H site, H(2) is bonded in a single-bond geometry to one C(9) atom. In the third H site, H(3) is bonded in a single-bond geometry to one C(11) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one C(13) atom. In the fifth H site, H(5,6) is bonded in a single-bond geometry to one C(14) atom. In the sixth H site, H(7,8) is bonded in a single-bond geometry to one C(16) atom. In the seventh H site, H(9) is bonded in a single-bond geometry to one C(17) atom. In the eighth H site, H(10) is bonded in a single-bond geometry to one C(19) atom. In the ninth H site, H(11) is bonded in a single-bond geometry to one C(21) atom. In the tenth H site, H(13,14,15,16,17,18) is bonded in a single-bond geometry to one C(24) atom. In the eleventh H site, H(20) is bonded in a single-bond geometry to one C(28) atom. In the twelfth H site, H(21) is bonded in a single-bond geometry to one C(30) atom. In the thirteenth H site, H(22) is bonded in a single-bond geometry to one C(32) atom. In the fourteenth H site, H(23,24) is bonded in a single-bond geometry to one C(33) atom. In the fifteenth H site, H(25) is bonded in a single-bond geometry to one C(35) atom. In the sixteenth H site, H(26) is bonded in a single-bond geometry to one C(35) atom. In the seventeenth H site, H(27) is bonded in a single-bond geometry to one C(36) atom. In the eighteenth H site, H(28) is bonded in a single-bond geometry to one C(38) atom. In the nineteenth H site, H(29) is bonded in a single-bond geometry to one C(40) atom. In the twentieth H site, H(31,32,33,34,35,36) is bonded in a single-bond geometry to one C(43) atom. In the twenty-first H site, H(37) is bonded in a single-bond geometry to one C(49) atom. In the twenty-second H site, H(38) is bonded in a single-bond geometry to one C(50) atom. In the twenty-third H site, H(39) is bonded in a single-bond geometry to one C(52) atom. In the twenty-fourth H site, H(40) is bonded in a single-bond geometry to one C(54) atom. In the twenty-fifth H site, H(41,42) is bonded in a single-bond geometry to one C(55) atom. In the twenty-sixth H site, H(43,44) is bonded in a single-bond geometry to one C(57) atom. In the twenty-seventh H site, H(45) is bonded in a single-bond geometry to one C(58) atom. In the twenty-eighth H site, H(46) is bonded in a single-bond geometry to one C(60) atom. In the twenty-ninth H site, H(47) is bonded in a single-bond geometry to one C(62) atom. In the thirtieth H site, H(49,50) is bonded in a single-bond geometry to one C(65) atom. In the thirty-first H site, H(51,52,53,54) is bonded in a single-bond geometry to one C(65) atom. In the thirty-second H site, H(56) is bonded in a single-bond geometry to one C(71) atom. In the thirty-third H site, H(57) is bonded in a single-bond geometry to one C(73) atom. In the thirty-fourth H site, H(58) is bonded in a single-bond geometry to one C(75) atom. In the thirty-fifth H site, H(59) is bonded in a single-bond geometry to one C(76) atom. In the thirty-sixth H site, H(60) is bonded in a single-bond geometry to one C(76) atom. In the thirty-seventh H site, H(61) is bonded in a single-bond geometry to one C(78) atom. In the thirty-eighth H site, H(62) is bonded in a single-bond geometry to one C(78) atom. In the thirty-ninth H site, H(63) is bonded in a single-bond geometry to one C(79) atom. In the fortieth H site, H(64) is bonded in a single-bond geometry to one C(81) atom. In the forty-first H site, H(65) is bonded in a single-bond geometry to one C(83) atom. In the forty-second H site, H(67,68,69,70) is bonded in a single-bond geometry to one C(86) atom. In the forty-third H site, H(71,72) is bonded in a single-bond geometry to one C(87) atom. In the forty-fourth H site, H(74) is bonded in a single-bond geometry to one C(97) atom. In the forty-fifth H site, H(75) is bonded in a single-bond geometry to one C(99) atom. In the forty-sixth H site, H(76) is bonded in a single-bond geometry to one C(101) atom. In the forty-seventh H site, H(77,78) is bonded in a single-bond geometry to one C(102) atom. In the forty-eighth H site, H(79,80) is bonded in a single-bond geometry to one C(104) atom. In the forty-ninth H site, H(81) is bonded in a single-bond geometry to one C(105) atom. In the fiftieth H site, H(82) is bonded in a single-bond geometry to one C(107) atom. In the fifty-first H site, H(83) is bonded in a single-bond geometry to one C(109) atom. In the fifty-second H site, H(85,86,87,88,89,90) is bonded in a single-bond geometry to one C(112) atom. In the fifty-third H site, H(92) is bonded in a single-bond geometry to one C(116) atom. In the fifty-fourth H site, H(93) is bonded in a single-bond geometry to one C(118) atom. In the fifty-fifth H site, H(94) is bonded in a single-bond geometry to one C(120) atom. In the fifty-sixth H site, H(95) is bonded in a single-bond geometry to one C(121) atom. In the fifty-seventh H site, H(96) is bonded in a single-bond geometry to one C(121) atom. In the fifty-eighth H site, H(97,98) is bonded in a single-bond geometry to one C(123) atom. In the fifty-ninth H site, H(99) is bonded in a single-bond geometry to one C(124) atom. In the sixtieth H site, H(100) is bonded in a single-bond geometry to one C(126) atom. In the sixty-first H site, H(101) is bonded in a single-bond geometry to one C(128) atom. In the sixty-second H site, H(103,105) is bonded in a single-bond geometry to one C(131) atom. In the sixty-third H site, H(104) is bonded in a single-bond geometry to one C(131) atom. In the sixty-fourth H site, H(106) is bonded in a single-bond geometry to one C(132) atom. In the sixty-fifth H site, H(107,108) is bonded in a single-bond geometry to one C(132) atom. There are twelve inequivalent O sites. In the first O site, O(12) is bonded in a bent 120 degrees geometry to one Mn(6) and one C(130) atom. In the second O site, O(1) is bonded in a bent 120 degrees geometry to one Mn(1) and one C(7) atom. In the third O site, O(2) is bonded in a bent 120 degrees geometry to one Mn(1) and one C(23) atom. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to one Mn(2) and one C(42) atom. In the fifth O site, O(5) is bonded in a bent 120 degrees geometry to one Mn(3) and one C(48) atom. In the sixth O site, O(6) is bonded in a bent 120 degrees geometry to one Mn(3) and one C(64) atom. In the seventh O site, O(7) is bonded in a bent 120 degrees geometry to one Mn(4) and one C(69) atom. In the eighth O site, O(9) is bonded in a bent 120 degrees geometry to one Mn(5) and one C(95) atom. In the ninth O site, O(10) is bonded in a bent 120 degrees geometry to one Mn(5) and one C(111) atom. In the tenth O site, O(11) is bonded in a bent 120 degrees geometry to one Mn(6) and one C(114) atom. In the eleventh O site, O(3) is bonded in a bent 120 degrees geometry to one Mn(2) and one C(26) atom. In the twelfth O site, O(8) is bonded in a bent 120 degrees geometry to one Mn(4) and one C(85) atom. There are twelve inequivalent Br sites. In the first Br site, Br(1) is bonded in a single-bond geometry to one C(10) atom. In the second Br site, Br(2) is bonded in a single-bond geometry to one C(20) atom. In the third Br site, Br(3) is bonded in a single-bond geometry to one C(29) atom. In the fourth Br site, Br(4) is bonded in a single-bond geometry to one C(39) atom. In the fifth Br site, Br(5) is bonded in a single-bond geometry to one C(51) atom. In the sixth Br site, Br(6) is bonded in a single-bond geometry to one C(61) atom. In the seventh Br site, Br(7) is bonded in a single-bond geometry to one C(72) atom. In the eighth Br site, Br(8) is bonded in a single-bond geometry to one C(82) atom. In the ninth Br site, Br(9) is bonded in a single-bond geometry to one C(98) atom. In the tenth Br site, Br(10) is bonded in a single-bond geometry to one C(108) atom. In the eleventh Br site, Br(11) is bonded in a single-bond geometry to one C(117) atom. In the twelfth Br site, Br(12) is bonded in a single-bond geometry to one C(127) atom. Linkers: 4 CC(C)(C/N=C/c1cc(Br)ccc1[O])C/N=C/c1cc(Br)ccc1[O]. Metal clusters: 18 [Mn] ,9 [Fe]. The MOF has largest included sphere 5.36 A, density 1.38 g/cm3, surface area 4066.81 m2/g, accessible volume 0.35 cm3/g