Ni3C5H7O11Cl crystallizes in the triclinic P1 space group. There are nine inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one O(13), one O(2), one O(3), one O(4), one O(5), and one O(7) atom to form edge-sharing NiO6 octahedra. The Ni(1)-O(13) bond length is 2.05 Å. The Ni(1)-O(2) bond length is 2.06 Å. The Ni(1)-O(3) bond length is 2.07 Å. The Ni(1)-O(4) bond length is 2.07 Å. The Ni(1)-O(5) bond length is 2.04 Å. The Ni(1)-O(7) bond length is 2.01 Å. In the second Ni site, Ni(2) is bonded to one O(1), one O(14), one O(3), one O(5), one O(6), and one O(8) atom to form edge-sharing NiO6 octahedra. The Ni(2)-O(1) bond length is 2.07 Å. The Ni(2)-O(14) bond length is 2.05 Å. The Ni(2)-O(3) bond length is 2.06 Å. The Ni(2)-O(5) bond length is 2.07 Å. The Ni(2)-O(6) bond length is 2.04 Å. The Ni(2)-O(8) bond length is 2.01 Å. In the third Ni site, Ni(3) is bonded to one O(1), one O(15), one O(2), one O(4), one O(6), and one O(9) atom to form edge-sharing NiO6 octahedra. The Ni(3)-O(1) bond length is 2.06 Å. The Ni(3)-O(15) bond length is 2.05 Å. The Ni(3)-O(2) bond length is 2.07 Å. The Ni(3)-O(4) bond length is 2.04 Å. The Ni(3)-O(6) bond length is 2.07 Å. The Ni(3)-O(9) bond length is 2.01 Å. In the fourth Ni site, Ni(4) is bonded to one O(11), one O(16), one O(25), one O(27), one O(28), and one O(29) atom to form edge-sharing NiO6 octahedra. The Ni(4)-O(11) bond length is 2.04 Å. The Ni(4)-O(16) bond length is 2.07 Å. The Ni(4)-O(25) bond length is 2.08 Å. The Ni(4)-O(27) bond length is 2.06 Å. The Ni(4)-O(28) bond length is 2.05 Å. The Ni(4)-O(29) bond length is 2.05 Å. In the fifth Ni site, Ni(5) is bonded to one O(12), one O(17), one O(25), one O(26), one O(29), and one O(30) atom to form edge-sharing NiO6 octahedra. The Ni(5)-O(12) bond length is 2.04 Å. The Ni(5)-O(17) bond length is 2.07 Å. The Ni(5)-O(25) bond length is 2.06 Å. The Ni(5)-O(26) bond length is 2.08 Å. The Ni(5)-O(29) bond length is 2.05 Å. The Ni(5)-O(30) bond length is 2.05 Å. In the sixth Ni site, Ni(6) is bonded to one O(10), one O(18), one O(26), one O(27), one O(28), and one O(30) atom to form edge-sharing NiO6 octahedra. The Ni(6)-O(10) bond length is 2.04 Å. The Ni(6)-O(18) bond length is 2.07 Å. The Ni(6)-O(26) bond length is 2.06 Å. The Ni(6)-O(27) bond length is 2.08 Å. The Ni(6)-O(28) bond length is 2.05 Å. The Ni(6)-O(30) bond length is 2.05 Å. In the seventh Ni site, Ni(7) is bonded to one O(19), one O(21), one O(22), one O(32), one Cl(1), and one Cl(3) atom to form edge-sharing NiCl2O4 octahedra. The Ni(7)-O(19) bond length is 2.07 Å. The Ni(7)-O(21) bond length is 2.05 Å. The Ni(7)-O(22) bond length is 2.03 Å. The Ni(7)-O(32) bond length is 2.05 Å. The Ni(7)-Cl(1) bond length is 2.42 Å. The Ni(7)-Cl(3) bond length is 2.41 Å. In the eighth Ni site, Ni(8) is bonded to one O(19), one O(20), one O(23), one O(33), one Cl(1), and one Cl(2) atom to form edge-sharing NiCl2O4 octahedra. The Ni(8)-O(19) bond length is 2.05 Å. The Ni(8)-O(20) bond length is 2.07 Å. The Ni(8)-O(23) bond length is 2.03 Å. The Ni(8)-O(33) bond length is 2.05 Å. The Ni(8)-Cl(1) bond length is 2.42 Å. The Ni(8)-Cl(2) bond length is 2.42 Å. In the ninth Ni site, Ni(9) is bonded to one O(20), one O(21), one O(24), one O(31), one Cl(2), and one Cl(3) atom to form edge-sharing NiCl2O4 octahedra. The Ni(9)-O(20) bond length is 2.05 Å. The Ni(9)-O(21) bond length is 2.07 Å. The Ni(9)-O(24) bond length is 2.03 Å. The Ni(9)-O(31) bond length is 2.05 Å. The Ni(9)-Cl(2) bond length is 2.40 Å. The Ni(9)-Cl(3) bond length is 2.43 Å. There are fifteen inequivalent C sites. In the first C site, C(1) is bonded in a trigonal planar geometry to one H(7), one O(28), and one O(7) atom. The C(1)-H(7) bond length is 1.10 Å. The C(1)-O(28) bond length is 1.29 Å. The C(1)-O(7) bond length is 1.25 Å. In the second C site, C(2) is bonded in a trigonal planar geometry to one H(8), one O(29), and one O(8) atom. The C(2)-H(8) bond length is 1.10 Å. The C(2)-O(29) bond length is 1.29 Å. The C(2)-O(8) bond length is 1.25 Å. In the third C site, C(3) is bonded in a trigonal planar geometry to one H(9), one O(30), and one O(9) atom. The C(3)-H(9) bond length is 1.10 Å. The C(3)-O(30) bond length is 1.29 Å. The C(3)-O(9) bond length is 1.25 Å. In the fourth C site, C(4) is bonded in a trigonal planar geometry to one H(10), one O(22), and one O(4) atom. The C(4)-H(10) bond length is 1.10 Å. The C(4)-O(22) bond length is 1.25 Å. The C(4)-O(4) bond length is 1.29 Å. In the fifth C site, C(5) is bonded in a trigonal planar geometry to one H(11), one O(23), and one O(5) atom. The C(5)-H(11) bond length is 1.10 Å. The C(5)-O(23) bond length is 1.25 Å. The C(5)-O(5) bond length is 1.29 Å. In the sixth C site, C(6) is bonded in a trigonal planar geometry to one H(12), one O(24), and one O(6) atom. The C(6)-H(12) bond length is 1.10 Å. The C(6)-O(24) bond length is 1.25 Å. The C(6)-O(6) bond length is 1.29 Å. In the seventh C site, C(7) is bonded in a trigonal planar geometry to one H(13), one O(10), and one O(25) atom. The C(7)-H(13) bond length is 1.10 Å. The C(7)-O(10) bond length is 1.26 Å. The C(7)-O(25) bond length is 1.28 Å. In the eighth C site, C(8) is bonded in a trigonal planar geometry to one H(14), one O(11), and one O(26) atom. The C(8)-H(14) bond length is 1.10 Å. The C(8)-O(11) bond length is 1.26 Å. The C(8)-O(26) bond length is 1.28 Å. In the ninth C site, C(9) is bonded in a trigonal planar geometry to one H(15), one O(12), and one O(27) atom. The C(9)-H(15) bond length is 1.10 Å. The C(9)-O(12) bond length is 1.26 Å. The C(9)-O(27) bond length is 1.28 Å. In the tenth C site, C(10) is bonded in a trigonal planar geometry to one H(16), one O(1), and one O(13) atom. The C(10)-H(16) bond length is 1.10 Å. The C(10)-O(1) bond length is 1.28 Å. The C(10)-O(13) bond length is 1.26 Å. In the eleventh C site, C(11) is bonded in a trigonal planar geometry to one H(17), one O(14), and one O(2) atom. The C(11)-H(17) bond length is 1.10 Å. The C(11)-O(14) bond length is 1.26 Å. The C(11)-O(2) bond length is 1.28 Å. In the twelfth C site, C(12) is bonded in a trigonal planar geometry to one H(18), one O(15), and one O(3) atom. The C(12)-H(18) bond length is 1.10 Å. The C(12)-O(15) bond length is 1.26 Å. The C(12)-O(3) bond length is 1.28 Å. In the thirteenth C site, C(13) is bonded in a trigonal planar geometry to one H(19), one O(19), and one O(31) atom. The C(13)-H(19) bond length is 1.10 Å. The C(13)-O(19) bond length is 1.29 Å. The C(13)-O(31) bond length is 1.26 Å. In the fourteenth C site, C(14) is bonded in a trigonal planar geometry to one H(20), one O(20), and one O(32) atom. The C(14)-H(20) bond length is 1.10 Å. The C(14)-O(20) bond length is 1.29 Å. The C(14)-O(32) bond length is 1.26 Å. In the fifteenth C site, C(15) is bonded in a trigonal planar geometry to one H(21), one O(21), and one O(33) atom. The C(15)-H(21) bond length is 1.10 Å. The C(15)-O(21) bond length is 1.29 Å. The C(15)-O(33) bond length is 1.26 Å. There are twenty-one inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(16) atom. The H(1)-O(16) bond length is 0.99 Å. In the second H site, H(2) is bonded in a single-bond geometry to one O(17) atom. The H(2)-O(17) bond length is 0.99 Å. In the third H site, H(3) is bonded in a single-bond geometry to one O(18) atom. The H(3)-O(18) bond length is 0.99 Å. In the fourth H site, H(4) is bonded in a single-bond geometry to one O(16) atom. The H(4)-O(16) bond length is 0.99 Å. In the fifth H site, H(5) is bonded in a single-bond geometry to one O(17) atom. The H(5)-O(17) bond length is 0.99 Å. In the sixth H site, H(6) is bonded in a single-bond geometry to one O(18) atom. The H(6)-O(18) bond length is 0.99 Å. In the seventh H site, H(7) is bonded in a single-bond geometry to one C(1) atom. In the eighth H site, H(8) is bonded in a single-bond geometry to one C(2) atom. In the ninth H site, H(9) is bonded in a single-bond geometry to one C(3) atom. In the tenth H site, H(10) is bonded in a single-bond geometry to one C(4) atom. In the eleventh H site, H(11) is bonded in a single-bond geometry to one C(5) atom. In the twelfth H site, H(12) is bonded in a single-bond geometry to one C(6) atom. In the thirteenth H site, H(13) is bonded in a single-bond geometry to one C(7) atom. In the fourteenth H site, H(14) is bonded in a single-bond geometry to one C(8) atom. In the fifteenth H site, H(15) is bonded in a single-bond geometry to one C(9) atom. In the sixteenth H site, H(16) is bonded in a single-bond geometry to one C(10) atom. In the seventeenth H site, H(17) is bonded in a single-bond geometry to one C(11) atom. In the eighteenth H site, H(18) is bonded in a single-bond geometry to one C(12) atom. In the nineteenth H site, H(19) is bonded in a single-bond geometry to one C(13) atom. In the twentieth H site, H(20) is bonded in a single-bond geometry to one C(14) atom. In the twenty-first H site, H(21) is bonded in a single-bond geometry to one C(15) atom. There are thirty-three inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Ni(2), one Ni(3), and one C(10) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Ni(1), one Ni(3), and one C(11) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Ni(1), one Ni(2), and one C(12) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Ni(1), one Ni(3), and one C(4) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Ni(1), one Ni(2), and one C(5) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Ni(2), one Ni(3), and one C(6) atom. In the seventh O site, O(7) is bonded in a distorted bent 150 degrees geometry to one Ni(1) and one C(1) atom. In the eighth O site, O(8) is bonded in a distorted bent 150 degrees geometry to one Ni(2) and one C(2) atom. In the ninth O site, O(9) is bonded in a distorted bent 150 degrees geometry to one Ni(3) and one C(3) atom. In the tenth O site, O(10) is bonded in a bent 120 degrees geometry to one Ni(6) and one C(7) atom. In the eleventh O site, O(11) is bonded in a bent 120 degrees geometry to one Ni(4) and one C(8) atom. In the twelfth O site, O(12) is bonded in a bent 120 degrees geometry to one Ni(5) and one C(9) atom. In the thirteenth O site, O(13) is bonded in a bent 120 degrees geometry to one Ni(1) and one C(10) atom. In the fourteenth O site, O(14) is bonded in a bent 120 degrees geometry to one Ni(2) and one C(11) atom. In the fifteenth O site, O(15) is bonded in a bent 120 degrees geometry to one Ni(3) and one C(12) atom. In the sixteenth O site, O(16) is bonded in a distorted water-like geometry to one Ni(4), one H(1), and one H(4) atom. In the seventeenth O site, O(17) is bonded in a distorted water-like geometry to one Ni(5), one H(2), and one H(5) atom. In the eighteenth O site, O(18) is bonded in a distorted water-like geometry to one Ni(6), one H(3), and one H(6) atom. In the nineteenth O site, O(19) is bonded in a distorted trigonal planar geometry to one Ni(7), one Ni(8), and one C(13) atom. In the twentieth O site, O(20) is bonded in a distorted trigonal planar geometry to one Ni(8), one Ni(9), and one C(14) atom. In the twenty-first O site, O(21) is bonded in a distorted trigonal planar geometry to one Ni(7), one Ni(9), and one C(15) atom. In the twenty-second O site, O(22) is bonded in a distorted bent 120 degrees geometry to one Ni(7) and one C(4) atom. In the twenty-third O site, O(23) is bonded in a distorted bent 120 degrees geometry to one Ni(8) and one C(5) atom. In the twenty-fourth O site, O(24) is bonded in a distorted bent 120 degrees geometry to one Ni(9) and one C(6) atom. In the twenty-fifth O site, O(25) is bonded in a distorted trigonal planar geometry to one Ni(4), one Ni(5), and one C(7) atom. In the twenty-sixth O site, O(26) is bonded in a distorted trigonal planar geometry to one Ni(5), one Ni(6), and one C(8) atom. In the twenty-seventh O site, O(27) is bonded in a distorted trigonal planar geometry to one Ni(4), one Ni(6), and one C(9) atom. In the twenty-eighth O site, O(28) is bonded in a distorted trigonal planar geometry to one Ni(4), one Ni(6), and one C(1) atom. In the twenty-ninth O site, O(29) is bonded in a distorted trigonal planar geometry to one Ni(4), one Ni(5), and one C(2) atom. In the thirtieth O site, O(30) is bonded in a distorted trigonal planar geometry to one Ni(5), one Ni(6), and one C(3) atom. In the thirty-first O site, O(31) is bonded in a bent 120 degrees geometry to one Ni(9) and one C(13) atom. In the thirty-second O site, O(32) is bonded in a bent 120 degrees geometry to one Ni(7) and one C(14) atom. In the thirty-third O site, O(33) is bonded in a bent 120 degrees geometry to one Ni(8) and one C(15) atom. There are three inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in an L-shaped geometry to one Ni(7) and one Ni(8) atom. In the second Cl site, Cl(2) is bonded in an L-shaped geometry to one Ni(8) and one Ni(9) atom. In the third Cl site, Cl(3) is bonded in an L-shaped geometry to one Ni(7) and one Ni(9) atom. Linkers: 15 [O]C=O. Metal clusters: 9 [Ni]. The MOF has largest included sphere 2.20 A, density 2.49 g/cm3, surface area 2536.29 m2/g, accessible volume 0.05 cm3/g