MnC4N7H6OCl crystallizes in the triclinic P1 space group. There are four inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in an octahedral geometry to one N(21); one N(22); one N(5); one N(6); and two equivalent O(1,2) atoms. The Mn(1)-N(21) bond length is 2.25 Å. The Mn(1)-N(22) bond length is 2.25 Å. The Mn(1)-N(5) bond length is 2.26 Å. The Mn(1)-N(6) bond length is 2.26 Å. Both Mn(1)-O(1,2) bond lengths are 2.25 Å. In the second Mn site, Mn(2) is bonded in an octahedral geometry to one N(23), one N(24), one N(7), one N(8), one O(3), and one O(4) atom. The Mn(2)-N(23) bond length is 2.10 Å. The Mn(2)-N(24) bond length is 2.10 Å. The Mn(2)-N(7) bond length is 1.97 Å. The Mn(2)-N(8) bond length is 1.97 Å. The Mn(2)-O(3) bond length is 2.09 Å. The Mn(2)-O(4) bond length is 2.09 Å. In the third Mn site, Mn(3) is bonded in an octahedral geometry to one N(1), one N(17), one N(19), one N(3), one Cl(1), and one Cl(3) atom. The Mn(3)-N(1) bond length is 2.31 Å. The Mn(3)-N(17) bond length is 2.35 Å. The Mn(3)-N(19) bond length is 2.32 Å. The Mn(3)-N(3) bond length is 2.29 Å. The Mn(3)-Cl(1) bond length is 2.48 Å. The Mn(3)-Cl(3) bond length is 2.46 Å. In the fourth Mn site, Mn(4) is bonded in an octahedral geometry to one N(18), one N(2), one N(20), one N(4), one Cl(2), and one Cl(4) atom. The Mn(4)-N(18) bond length is 2.35 Å. The Mn(4)-N(2) bond length is 2.31 Å. The Mn(4)-N(20) bond length is 2.32 Å. The Mn(4)-N(4) bond length is 2.29 Å. The Mn(4)-Cl(2) bond length is 2.48 Å. The Mn(4)-Cl(4) bond length is 2.46 Å. There are thirteen inequivalent C sites. In the first C site, C(1) is bonded in a distorted bent 120 degrees geometry to one C(9,10); one N(1); and one N(21) atom. The C(1)-C(9,10) bond length is 1.42 Å. The C(1)-N(1) bond length is 1.35 Å. The C(1)-N(21) bond length is 1.40 Å. In the second C site, C(2) is bonded in a distorted bent 120 degrees geometry to one C(9,10); one N(2); and one N(22) atom. The C(2)-C(9,10) bond length is 1.42 Å. The C(2)-N(2) bond length is 1.35 Å. The C(2)-N(22) bond length is 1.40 Å. In the third C site, C(3) is bonded in a distorted bent 120 degrees geometry to one C(11,12); one N(23); and one N(3) atom. The C(3)-C(11,12) bond length is 1.41 Å. The C(3)-N(23) bond length is 1.41 Å. The C(3)-N(3) bond length is 1.34 Å. In the fourth C site, C(4) is bonded in a distorted bent 120 degrees geometry to one C(11,12); one N(24); and one N(4) atom. The C(4)-C(11,12) bond length is 1.41 Å. The C(4)-N(24) bond length is 1.41 Å. The C(4)-N(4) bond length is 1.34 Å. In the fifth C site, C(5) is bonded in a distorted trigonal planar geometry to one C(9,10); one N(17); and one N(5) atom. The C(5)-C(9,10) bond length is 1.44 Å. The C(5)-N(17) bond length is 1.35 Å. The C(5)-N(5) bond length is 1.35 Å. In the sixth C site, C(6) is bonded in a distorted trigonal planar geometry to one C(9,10); one N(18); and one N(6) atom. The C(6)-C(9,10) bond length is 1.44 Å. The C(6)-N(18) bond length is 1.35 Å. The C(6)-N(6) bond length is 1.35 Å. In the seventh C site, C(7) is bonded in a distorted trigonal planar geometry to one C(11,12); one N(19); and one N(7) atom. The C(7)-C(11,12) bond length is 1.44 Å. The C(7)-N(19) bond length is 1.35 Å. The C(7)-N(7) bond length is 1.36 Å. In the eighth C site, C(8) is bonded in a distorted trigonal planar geometry to one C(11,12); one N(20); and one N(8) atom. The C(8)-C(11,12) bond length is 1.44 Å. The C(8)-N(20) bond length is 1.35 Å. The C(8)-N(8) bond length is 1.36 Å. In the ninth C site, C(9,10) is bonded in a trigonal planar geometry to one C(1), one C(13), and one C(5) atom. The C(9,10)-C(13) bond length is 1.39 Å. In the tenth C site, C(11,12) is bonded in a trigonal planar geometry to one C(15,16); one C(3); and one C(7) atom. The C(11,12)-C(15,16) bond length is 1.39 Å. In the eleventh C site, C(13) is bonded in a distorted bent 120 degrees geometry to one C(9,10); one N(25); and one H(13,14) atom. The C(13)-N(25) bond length is 1.34 Å. The C(13)-H(13,14) bond length is 1.08 Å. In the twelfth C site, C(14) is bonded in a distorted bent 120 degrees geometry to one C(9,10); one N(26); and one H(13,14) atom. The C(14)-C(9,10) bond length is 1.39 Å. The C(14)-N(26) bond length is 1.34 Å. The C(14)-H(13,14) bond length is 1.08 Å. In the thirteenth C site, C(15,16) is bonded in a distorted bent 120 degrees geometry to one C(11,12); one N(27); and one H(15,16) atom. The C(15,16)-N(27) bond length is 1.35 Å. The C(15,16)-H(15,16) bond length is 1.08 Å. There are twenty-eight inequivalent N sites. In the first N site, N(1) is bonded in a 3-coordinate geometry to one Mn(3), one C(1), and one N(25) atom. The N(1)-N(25) bond length is 1.36 Å. In the second N site, N(2) is bonded in a 3-coordinate geometry to one Mn(4), one C(2), and one N(26) atom. The N(2)-N(26) bond length is 1.36 Å. In the third N site, N(3) is bonded in a 3-coordinate geometry to one Mn(3), one C(3), and one N(27) atom. The N(3)-N(27) bond length is 1.36 Å. In the fourth N site, N(4) is bonded in a 3-coordinate geometry to one Mn(4), one C(4), and one N(28) atom. The N(4)-N(28) bond length is 1.36 Å. In the fifth N site, N(5) is bonded in a distorted trigonal planar geometry to one Mn(1), one C(5), and one N(9) atom. The N(5)-N(9) bond length is 1.35 Å. In the sixth N site, N(6) is bonded in a distorted trigonal planar geometry to one Mn(1), one C(6), and one N(10) atom. The N(6)-N(10) bond length is 1.35 Å. In the seventh N site, N(7) is bonded in a distorted trigonal planar geometry to one Mn(2), one C(7), and one N(11) atom. The N(7)-N(11) bond length is 1.36 Å. In the eighth N site, N(8) is bonded in a distorted trigonal planar geometry to one Mn(2), one C(8), and one N(12) atom. The N(8)-N(12) bond length is 1.36 Å. In the ninth N site, N(9) is bonded in a water-like geometry to one N(13) and one N(5) atom. The N(9)-N(13) bond length is 1.31 Å. In the tenth N site, N(10) is bonded in a water-like geometry to one N(14) and one N(6) atom. The N(10)-N(14) bond length is 1.31 Å. In the eleventh N site, N(11) is bonded in a water-like geometry to one N(15) and one N(7) atom. The N(11)-N(15) bond length is 1.31 Å. In the twelfth N site, N(12) is bonded in a water-like geometry to one N(16) and one N(8) atom. The N(12)-N(16) bond length is 1.31 Å. In the thirteenth N site, N(13) is bonded in a distorted trigonal planar geometry to one N(17), one N(9), and one H(5) atom. The N(13)-N(17) bond length is 1.35 Å. The N(13)-H(5) bond length is 1.78 Å. In the fourteenth N site, N(14) is bonded in a distorted trigonal planar geometry to one N(10), one N(18), and one H(6) atom. The N(14)-N(18) bond length is 1.35 Å. The N(14)-H(6) bond length is 1.78 Å. In the fifteenth N site, N(15) is bonded in a 2-coordinate geometry to one N(11) and one N(19) atom. The N(15)-N(19) bond length is 1.35 Å. In the sixteenth N site, N(16) is bonded in a 2-coordinate geometry to one N(12) and one N(20) atom. The N(16)-N(20) bond length is 1.35 Å. In the seventeenth N site, N(17) is bonded in a 3-coordinate geometry to one Mn(3), one C(5), and one N(13) atom. In the eighteenth N site, N(18) is bonded in a 3-coordinate geometry to one Mn(4), one C(6), and one N(14) atom. In the nineteenth N site, N(19) is bonded in a 3-coordinate geometry to one Mn(3), one C(7), and one N(15) atom. In the twentieth N site, N(20) is bonded in a 3-coordinate geometry to one Mn(4), one C(8), and one N(16) atom. In the twenty-first N site, N(21) is bonded to one Mn(1), one C(1), one H(1), and one H(5) atom to form distorted corner-sharing NMnH2C tetrahedra. The N(21)-H(1) bond length is 1.03 Å. The N(21)-H(5) bond length is 1.05 Å. In the twenty-second N site, N(22) is bonded to one Mn(1), one C(2), one H(2), and one H(6) atom to form distorted corner-sharing NMnH2C tetrahedra. The N(22)-H(2) bond length is 1.03 Å. The N(22)-H(6) bond length is 1.05 Å. In the twenty-third N site, N(23) is bonded to one Mn(2), one C(3), one H(3), and one H(7) atom to form distorted corner-sharing NMnH2C tetrahedra. The N(23)-H(3) bond length is 1.03 Å. The N(23)-H(7) bond length is 1.05 Å. In the twenty-fourth N site, N(24) is bonded to one Mn(2), one C(4), one H(4), and one H(8) atom to form distorted corner-sharing NMnH2C tetrahedra. The N(24)-H(4) bond length is 1.03 Å. The N(24)-H(8) bond length is 1.05 Å. In the twenty-fifth N site, N(25) is bonded in a 3-coordinate geometry to one C(13), one N(1), and one H(9) atom. The N(25)-H(9) bond length is 1.02 Å. In the twenty-sixth N site, N(26) is bonded in a 3-coordinate geometry to one C(14), one N(2), and one H(10) atom. The N(26)-H(10) bond length is 1.02 Å. In the twenty-seventh N site, N(27) is bonded in a 2-coordinate geometry to one C(15,16); one N(3); and one H(11,12) atom. The N(27)-H(11,12) bond length is 1.02 Å. In the twenty-eighth N site, N(28) is bonded in a 2-coordinate geometry to one C(15,16); one N(4); and one H(11,12) atom. The N(28)-C(15,16) bond length is 1.35 Å. The N(28)-H(11,12) bond length is 1.02 Å. There are twenty-one inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one N(21) atom. In the second H site, H(2) is bonded in a single-bond geometry to one N(22) atom. In the third H site, H(3) is bonded in a single-bond geometry to one N(23) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one N(24) atom. In the fifth H site, H(5) is bonded in a single-bond geometry to one N(13) and one N(21) atom. In the sixth H site, H(6) is bonded in a single-bond geometry to one N(14) and one N(22) atom. In the seventh H site, H(7) is bonded in a single-bond geometry to one N(23) atom. In the eighth H site, H(8) is bonded in a single-bond geometry to one N(24) atom. In the ninth H site, H(9) is bonded in a single-bond geometry to one N(25) atom. In the tenth H site, H(10) is bonded in a single-bond geometry to one N(26) atom. In the eleventh H site, H(11,12) is bonded in a single-bond geometry to one N(27) atom. In the twelfth H site, H(13,14) is bonded in a single-bond geometry to one C(13) atom. In the thirteenth H site, H(15,16) is bonded in a single-bond geometry to one C(15,16) atom. In the fourteenth H site, H(17) is bonded in a single-bond geometry to one O(1,2) atom. The H(17)-O(1,2) bond length is 0.99 Å. In the fifteenth H site, H(18) is bonded in a single-bond geometry to one O(1,2) atom. The H(18)-O(1,2) bond length is 0.99 Å. In the sixteenth H site, H(19) is bonded in a single-bond geometry to one O(3) and one Cl(2) atom. The H(19)-O(3) bond length is 0.99 Å. The H(19)-Cl(2) bond length is 2.07 Å. In the seventeenth H site, H(20) is bonded in a single-bond geometry to one O(4) and one Cl(1) atom. The H(20)-O(4) bond length is 0.99 Å. The H(20)-Cl(1) bond length is 2.07 Å. In the eighteenth H site, H(21) is bonded in a single-bond geometry to one O(1,2) atom. The H(21)-O(1,2) bond length is 0.99 Å. In the nineteenth H site, H(22) is bonded in a single-bond geometry to one O(1,2) atom. The H(22)-O(1,2) bond length is 0.99 Å. In the twentieth H site, H(23) is bonded in a single-bond geometry to one O(3) atom. The H(23)-O(3) bond length is 0.98 Å. In the twenty-first H site, H(24) is bonded in a single-bond geometry to one O(4) atom. The H(24)-O(4) bond length is 0.98 Å. There are three inequivalent O sites. In the first O site, O(1,2) is bonded in a distorted water-like geometry to one Mn(1), one H(17), and one H(21) atom. In the second O site, O(3) is bonded in a distorted trigonal non-coplanar geometry to one Mn(2), one H(19), and one H(23) atom. In the third O site, O(4) is bonded in a distorted trigonal non-coplanar geometry to one Mn(2), one H(20), and one H(24) atom. There are four inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a distorted L-shaped geometry to one Mn(3) and one H(20) atom. In the second Cl site, Cl(2) is bonded in a distorted L-shaped geometry to one Mn(4) and one H(19) atom. In the third Cl site, Cl(3) is bonded in a distorted single-bond geometry to one Mn(3) atom. In the fourth Cl site, Cl(4) is bonded in a distorted single-bond geometry to one Mn(4) atom. Linkers: 4 Nc1n[nH]cc1C1=NN=N[N]1. Metal clusters: 4 [Mn]. The MOF has largest included sphere 1.87 A, density 2.10 g/cm3, surface area 3049.33 m2/g, accessible volume 0.05 cm3/g