TbZnC23N4H17O11ClCHH2O crystallizes in the triclinic P-1 space group. The structure consists of four 02329_fluka molecules and four water molecules inside a TbZnC23N4H17O11Cl framework. In the TbZnC23N4H17O11Cl framework, there are two inequivalent Tb sites. In the first Tb site, Tb(1) is bonded in a 8-coordinate geometry to one O(1), one O(14), one O(17), one O(19), one O(22), one O(24), and two equivalent O(5) atoms. The Tb(1)-O(1) bond length is 2.36 Å. The Tb(1)-O(14) bond length is 2.35 Å. The Tb(1)-O(17) bond length is 2.41 Å. The Tb(1)-O(19) bond length is 2.38 Å. The Tb(1)-O(22) bond length is 2.31 Å. The Tb(1)-O(24) bond length is 2.32 Å. There is one shorter (2.45 Å) and one longer (2.55 Å) Tb(1)-O(5) bond length. In the second Tb site, Tb(2) is bonded in a 8-coordinate geometry to one O(13), one O(18), one O(2), one O(20), one O(21), one O(23), and two equivalent O(6) atoms. The Tb(2)-O(13) bond length is 2.35 Å. The Tb(2)-O(18) bond length is 2.41 Å. The Tb(2)-O(2) bond length is 2.36 Å. The Tb(2)-O(20) bond length is 2.38 Å. The Tb(2)-O(21) bond length is 2.31 Å. The Tb(2)-O(23) bond length is 2.32 Å. There is one shorter (2.45 Å) and one longer (2.55 Å) Tb(2)-O(6) bond length. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a trigonal bipyramidal geometry to one N(1), one N(3), one N(5), one N(7), and one Cl(1) atom. The Zn(1)-N(1) bond length is 2.08 Å. The Zn(1)-N(3) bond length is 2.11 Å. The Zn(1)-N(5) bond length is 2.14 Å. The Zn(1)-N(7) bond length is 2.18 Å. The Zn(1)-Cl(1) bond length is 2.29 Å. In the second Zn site, Zn(2) is bonded in a trigonal bipyramidal geometry to one N(2), one N(4), one N(6), one N(8), and one Cl(2) atom. The Zn(2)-N(2) bond length is 2.08 Å. The Zn(2)-N(4) bond length is 2.12 Å. The Zn(2)-N(6) bond length is 2.14 Å. The Zn(2)-N(8) bond length is 2.18 Å. The Zn(2)-Cl(2) bond length is 2.29 Å. There are forty-four inequivalent C sites. In the first C site, C(3,4) is bonded in a distorted single-bond geometry to one C(37) and one H(3) atom. The C(3,4)-C(37) bond length is 1.40 Å. The C(3,4)-H(3) bond length is 1.09 Å. In the second C site, C(5) is bonded in a trigonal planar geometry to one C(11), one C(15), and one C(25) atom. The C(5)-C(11) bond length is 1.40 Å. The C(5)-C(15) bond length is 1.51 Å. The C(5)-C(25) bond length is 1.39 Å. In the third C site, C(6) is bonded in a trigonal planar geometry to one C(12), one C(16), and one C(26) atom. The C(6)-C(12) bond length is 1.40 Å. The C(6)-C(16) bond length is 1.51 Å. The C(6)-C(26) bond length is 1.39 Å. In the fourth C site, C(7) is bonded in a distorted trigonal planar geometry to one C(31), one C(9), and one N(1) atom. The C(7)-C(31) bond length is 1.40 Å. The C(7)-C(9) bond length is 1.48 Å. The C(7)-N(1) bond length is 1.35 Å. In the fifth C site, C(8) is bonded in a distorted trigonal planar geometry to one C(10), one C(32), and one N(2) atom. The C(8)-C(10) bond length is 1.48 Å. The C(8)-C(32) bond length is 1.40 Å. The C(8)-N(2) bond length is 1.36 Å. In the sixth C site, C(9) is bonded in a distorted single-bond geometry to one C(39), one C(7), and one N(5) atom. The C(9)-C(39) bond length is 1.40 Å. The C(9)-N(5) bond length is 1.35 Å. In the seventh C site, C(10) is bonded in a distorted single-bond geometry to one C(40), one C(8), and one N(6) atom. The C(10)-C(40) bond length is 1.40 Å. The C(10)-N(6) bond length is 1.35 Å. In the eighth C site, C(11) is bonded in a distorted single-bond geometry to one C(5) and one H(5,6) atom. The C(11)-H(5,6) bond length is 1.09 Å. In the ninth C site, C(12) is bonded in a distorted single-bond geometry to one C(6) and one H(5,6) atom. The C(12)-H(5,6) bond length is 1.09 Å. In the tenth C site, C(13) is bonded in a distorted trigonal planar geometry to one C(23), one C(39), and one H(15) atom. The C(13)-C(23) bond length is 1.40 Å. The C(13)-C(39) bond length is 1.39 Å. The C(13)-H(15) bond length is 1.09 Å. In the eleventh C site, C(14) is bonded in a distorted trigonal planar geometry to one C(24), one C(40), and one H(16) atom. The C(14)-C(24) bond length is 1.40 Å. The C(14)-C(40) bond length is 1.39 Å. The C(14)-H(16) bond length is 1.09 Å. In the twelfth C site, C(15) is bonded in a distorted bent 120 degrees geometry to one C(5), one O(23), and one O(3) atom. The C(15)-O(23) bond length is 1.27 Å. The C(15)-O(3) bond length is 1.27 Å. In the thirteenth C site, C(16) is bonded in a distorted bent 120 degrees geometry to one C(6), one O(24), and one O(4) atom. The C(16)-O(24) bond length is 1.27 Å. The C(16)-O(4) bond length is 1.27 Å. In the fourteenth C site, C(17,18) is bonded in a distorted bent 120 degrees geometry to one C(23), one O(13), and one O(7) atom. The C(17,18)-C(23) bond length is 1.51 Å. The C(17,18)-O(13) bond length is 1.28 Å. The C(17,18)-O(7) bond length is 1.27 Å. In the fifteenth C site, C(19) is bonded in a distorted bent 120 degrees geometry to one C(43), one O(11), and one O(21) atom. The C(19)-C(43) bond length is 1.51 Å. The C(19)-O(11) bond length is 1.26 Å. The C(19)-O(21) bond length is 1.27 Å. In the sixteenth C site, C(20) is bonded in a distorted bent 120 degrees geometry to one C(44), one O(12), and one O(22) atom. The C(20)-C(44) bond length is 1.51 Å. The C(20)-O(12) bond length is 1.26 Å. The C(20)-O(22) bond length is 1.27 Å. In the seventeenth C site, C(21) is bonded in a distorted bent 120 degrees geometry to one C(43), one N(7), and one H(21) atom. The C(21)-C(43) bond length is 1.39 Å. The C(21)-N(7) bond length is 1.34 Å. The C(21)-H(21) bond length is 1.09 Å. In the eighteenth C site, C(22) is bonded in a distorted bent 120 degrees geometry to one C(44), one N(8), and one H(22) atom. The C(22)-C(44) bond length is 1.39 Å. The C(22)-N(8) bond length is 1.34 Å. The C(22)-H(22) bond length is 1.09 Å. In the nineteenth C site, C(23) is bonded in a trigonal planar geometry to one C(13); one C(17,18); and one C(29) atom. The C(23)-C(29) bond length is 1.40 Å. In the twentieth C site, C(24) is bonded in a trigonal planar geometry to one C(14); one C(17,18); and one C(30) atom. The C(24)-C(17,18) bond length is 1.51 Å. The C(24)-C(30) bond length is 1.40 Å. In the twenty-first C site, C(25) is bonded in a distorted bent 120 degrees geometry to one C(5); one N(1); and one H(23,24) atom. The C(25)-N(1) bond length is 1.34 Å. The C(25)-H(23,24) bond length is 1.09 Å. In the twenty-second C site, C(26) is bonded in a distorted bent 120 degrees geometry to one C(6); one N(2); and one H(23,24) atom. The C(26)-N(2) bond length is 1.34 Å. The C(26)-H(23,24) bond length is 1.09 Å. In the twenty-third C site, C(27) is bonded in a distorted bent 120 degrees geometry to one C(37), one N(3), and one H(25) atom. The C(27)-C(37) bond length is 1.40 Å. The C(27)-N(3) bond length is 1.34 Å. The C(27)-H(25) bond length is 1.09 Å. In the twenty-fourth C site, C(28) is bonded in a distorted bent 120 degrees geometry to one C(38), one N(4), and one H(26) atom. The C(28)-C(38) bond length is 1.40 Å. The C(28)-N(4) bond length is 1.34 Å. The C(28)-H(26) bond length is 1.09 Å. In the twenty-fifth C site, C(29) is bonded in a distorted bent 120 degrees geometry to one C(23), one N(5), and one H(27) atom. The C(29)-N(5) bond length is 1.34 Å. The C(29)-H(27) bond length is 1.09 Å. In the twenty-sixth C site, C(30) is bonded in a distorted bent 120 degrees geometry to one C(24), one N(6), and one H(28) atom. The C(30)-N(6) bond length is 1.34 Å. The C(30)-H(28) bond length is 1.09 Å. In the twenty-seventh C site, C(31) is bonded in a distorted single-bond geometry to one C(7) and one H(29,30) atom. The C(31)-H(29,30) bond length is 1.09 Å. In the twenty-eighth C site, C(32) is bonded in a distorted single-bond geometry to one C(8) and one H(29,30) atom. The C(32)-H(29,30) bond length is 1.09 Å. In the twenty-ninth C site, C(33) is bonded in a distorted bent 120 degrees geometry to one C(37), one O(1), and one O(9) atom. The C(33)-C(37) bond length is 1.50 Å. The C(33)-O(1) bond length is 1.27 Å. The C(33)-O(9) bond length is 1.26 Å. In the thirtieth C site, C(34) is bonded in a distorted bent 120 degrees geometry to one C(38), one O(10), and one O(2) atom. The C(34)-C(38) bond length is 1.50 Å. The C(34)-O(10) bond length is 1.26 Å. The C(34)-O(2) bond length is 1.27 Å. In the thirty-first C site, C(35) is bonded in a distorted single-bond geometry to one C(45) and one N(7) atom. The C(35)-C(45) bond length is 1.40 Å. The C(35)-N(7) bond length is 1.36 Å. In the thirty-second C site, C(36) is bonded in a distorted single-bond geometry to one C(46) and one N(8) atom. The C(36)-C(46) bond length is 1.40 Å. The C(36)-N(8) bond length is 1.36 Å. In the thirty-third C site, C(37) is bonded in a trigonal planar geometry to one C(27); one C(3,4); and one C(33) atom. In the thirty-fourth C site, C(38) is bonded in a trigonal planar geometry to one C(28); one C(3,4); and one C(34) atom. The C(38)-C(3,4) bond length is 1.40 Å. In the thirty-fifth C site, C(39) is bonded in a distorted trigonal planar geometry to one C(13), one C(9), and one H(31) atom. The C(39)-H(31) bond length is 1.09 Å. In the thirty-sixth C site, C(40) is bonded in a distorted trigonal planar geometry to one C(10), one C(14), and one H(32) atom. The C(40)-H(32) bond length is 1.09 Å. In the thirty-seventh C site, C(41) is bonded in a distorted single-bond geometry to one N(3) atom. The C(41)-N(3) bond length is 1.35 Å. In the thirty-eighth C site, C(42) is bonded in a distorted single-bond geometry to one N(4) atom. The C(42)-N(4) bond length is 1.35 Å. In the thirty-ninth C site, C(43) is bonded in a trigonal planar geometry to one C(19), one C(21), and one C(47) atom. The C(43)-C(47) bond length is 1.40 Å. In the fortieth C site, C(44) is bonded in a trigonal planar geometry to one C(20), one C(22), and one C(48) atom. The C(44)-C(48) bond length is 1.40 Å. In the forty-first C site, C(45) is bonded in a distorted trigonal planar geometry to one C(35), one C(47), and one H(33) atom. The C(45)-C(47) bond length is 1.39 Å. The C(45)-H(33) bond length is 1.09 Å. In the forty-second C site, C(46) is bonded in a distorted trigonal planar geometry to one C(36), one C(48), and one H(34) atom. The C(46)-C(48) bond length is 1.39 Å. The C(46)-H(34) bond length is 1.09 Å. In the forty-third C site, C(47) is bonded in a distorted single-bond geometry to one C(43), one C(45), and one H(35) atom. The C(47)-H(35) bond length is 1.09 Å. In the forty-fourth C site, C(48) is bonded in a distorted single-bond geometry to one C(44), one C(46), and one H(36) atom. The C(48)-H(36) bond length is 1.09 Å. There are eight inequivalent N sites. In the first N site, N(1) is bonded in a trigonal planar geometry to one Zn(1), one C(25), and one C(7) atom. In the second N site, N(2) is bonded in a trigonal planar geometry to one Zn(2), one C(26), and one C(8) atom. In the third N site, N(3) is bonded in a trigonal planar geometry to one Zn(1), one C(27), and one C(41) atom. In the fourth N site, N(4) is bonded in a trigonal planar geometry to one Zn(2), one C(28), and one C(42) atom. In the fifth N site, N(5) is bonded in a trigonal planar geometry to one Zn(1), one C(29), and one C(9) atom. In the sixth N site, N(6) is bonded in a trigonal planar geometry to one Zn(2), one C(10), and one C(30) atom. In the seventh N site, N(7) is bonded in a trigonal planar geometry to one Zn(1), one C(21), and one C(35) atom. In the eighth N site, N(8) is bonded in a trigonal planar geometry to one Zn(2), one C(22), and one C(36) atom. There are thirty-one inequivalent H sites. In the first H site, H(3) is bonded in a single-bond geometry to one C(3,4) atom. In the second H site, H(4) is bonded in a single-bond geometry to one C(3,4) atom. The H(4)-C(3,4) bond length is 1.09 Å. In the third H site, H(5,6) is bonded in a single-bond geometry to one C(11) atom. In the fourth H site, H(11) is bonded in a single-bond geometry to one O(17) atom. The H(11)-O(17) bond length is 0.97 Å. In the fifth H site, H(12) is bonded in a single-bond geometry to one O(18) atom. The H(12)-O(18) bond length is 0.97 Å. In the sixth H site, H(13) is bonded in a linear geometry to one O(17) and one O(9) atom. The H(13)-O(17) bond length is 1.03 Å. The H(13)-O(9) bond length is 1.57 Å. In the seventh H site, H(14) is bonded in a linear geometry to one O(10) and one O(18) atom. The H(14)-O(10) bond length is 1.57 Å. The H(14)-O(18) bond length is 1.03 Å. In the eighth H site, H(15) is bonded in a single-bond geometry to one C(13) atom. In the ninth H site, H(16) is bonded in a single-bond geometry to one C(14) atom. In the tenth H site, H(17) is bonded in a single-bond geometry to one O(19) atom. The H(17)-O(19) bond length is 0.97 Å. In the eleventh H site, H(18) is bonded in a single-bond geometry to one O(20) atom. The H(18)-O(20) bond length is 0.97 Å. In the twelfth H site, H(19) is bonded in a distorted single-bond geometry to one O(12) and one O(19) atom. The H(19)-O(12) bond length is 1.62 Å. The H(19)-O(19) bond length is 1.02 Å. In the thirteenth H site, H(20) is bonded in a distorted single-bond geometry to one O(11) and one O(20) atom. The H(20)-O(11) bond length is 1.62 Å. The H(20)-O(20) bond length is 1.02 Å. In the fourteenth H site, H(21) is bonded in a single-bond geometry to one C(21) atom. In the fifteenth H site, H(22) is bonded in a single-bond geometry to one C(22) atom. In the sixteenth H site, H(23,24) is bonded in a single-bond geometry to one C(25) atom. In the seventeenth H site, H(25) is bonded in a single-bond geometry to one C(27) atom. In the eighteenth H site, H(26) is bonded in a single-bond geometry to one C(28) atom. In the nineteenth H site, H(27) is bonded in a single-bond geometry to one C(29) atom. In the twentieth H site, H(28) is bonded in a single-bond geometry to one C(30) atom. In the twenty-first H site, H(29,30) is bonded in a single-bond geometry to one C(31) atom. In the twenty-second H site, H(31) is bonded in a single-bond geometry to one C(39) atom. In the twenty-third H site, H(32) is bonded in a single-bond geometry to one C(40) atom. In the twenty-fourth H site, H(33) is bonded in a single-bond geometry to one C(45) atom. In the twenty-fifth H site, H(34) is bonded in a single-bond geometry to one C(46) atom. In the twenty-sixth H site, H(35) is bonded in a single-bond geometry to one C(47) atom. In the twenty-seventh H site, H(36) is bonded in a single-bond geometry to one C(48) atom. In the twenty-eighth H site, H(37) is bonded in a distorted single-bond geometry to one O(4) and one O(5) atom. The H(37)-O(4) bond length is 1.55 Å. The H(37)-O(5) bond length is 1.03 Å. In the twenty-ninth H site, H(38) is bonded in a distorted single-bond geometry to one O(3) and one O(6) atom. The H(38)-O(3) bond length is 1.54 Å. The H(38)-O(6) bond length is 1.03 Å. In the thirtieth H site, H(39) is bonded in a single-bond geometry to one O(5) atom. The H(39)-O(5) bond length is 1.00 Å. In the thirty-first H site, H(40) is bonded in a single-bond geometry to one O(6) atom. The H(40)-O(6) bond length is 1.00 Å. There are twenty-two inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 120 degrees geometry to one Tb(1) and one C(33) atom. In the second O site, O(2) is bonded in a distorted bent 120 degrees geometry to one Tb(2) and one C(34) atom. In the third O site, O(3) is bonded in a water-like geometry to one C(15) and one H(38) atom. In the fourth O site, O(4) is bonded in a water-like geometry to one C(16) and one H(37) atom. In the fifth O site, O(5) is bonded in a distorted water-like geometry to two equivalent Tb(1), one H(37), and one H(39) atom. In the sixth O site, O(6) is bonded in a distorted water-like geometry to two equivalent Tb(2), one H(38), and one H(40) atom. In the seventh O site, O(7) is bonded in a single-bond geometry to one C(17,18) atom. In the eighth O site, O(8) is bonded in a single-bond geometry to one C(17,18) atom. The O(8)-C(17,18) bond length is 1.27 Å. In the ninth O site, O(9) is bonded in a water-like geometry to one C(33) and one H(13) atom. In the tenth O site, O(10) is bonded in a water-like geometry to one C(34) and one H(14) atom. In the eleventh O site, O(11) is bonded in a distorted water-like geometry to one C(19) and one H(20) atom. In the twelfth O site, O(12) is bonded in a distorted water-like geometry to one C(20) and one H(19) atom. In the thirteenth O site, O(13) is bonded in a 2-coordinate geometry to one Tb(2) and one C(17,18) atom. In the fourteenth O site, O(14) is bonded in a 2-coordinate geometry to one Tb(1) and one C(17,18) atom. The O(14)-C(17,18) bond length is 1.28 Å. In the fifteenth O site, O(17) is bonded in a distorted trigonal non-coplanar geometry to one Tb(1), one H(11), and one H(13) atom. In the sixteenth O site, O(18) is bonded in a distorted trigonal non-coplanar geometry to one Tb(2), one H(12), and one H(14) atom. In the seventeenth O site, O(19) is bonded in a 3-coordinate geometry to one Tb(1), one H(17), and one H(19) atom. In the eighteenth O site, O(20) is bonded in a 3-coordinate geometry to one Tb(2), one H(18), and one H(20) atom. In the nineteenth O site, O(21) is bonded in a bent 150 degrees geometry to one Tb(2) and one C(19) atom. In the twentieth O site, O(22) is bonded in a bent 150 degrees geometry to one Tb(1) and one C(20) atom. In the twenty-first O site, O(23) is bonded in a distorted bent 150 degrees geometry to one Tb(2) and one C(15) atom. In the twenty-second O site, O(24) is bonded in a distorted bent 150 degrees geometry to one Tb(1) and one C(16) atom. There are two inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a single-bond geometry to one Zn(1) atom. In the second Cl site, Cl(2) is bonded in a single-bond geometry to one Zn(2) atom. Linkers: 1 [O]C(=O)C1=CC=C2[C]3C=CC(C([O])=O)=CN3[Zn]3(Cl)(N2[CH]1)N1[CH]C(C([O])=O)=CC=C1C1=CC=C(C([O])=O)[CH]N13 ,2 [O]C(=O)C1=CC=C2C3=CC=C(C([O])=O)[CH]N3[Zn]3(Cl)(N2[CH]1)N1[CH]C(C([O])=O)=CC=C1C1=CC=C(C([O])=O)[CH]N13 ,1 [O]C(=O)C1=CC=C2C3=CC=C(C([O])=O)[CH]N3[Zn]3(Cl)(N2[CH]1)N1C=C(C([O])=O)C=CC1=C1C=CC(C([O])=O)=CN13. Metal clusters: 2 O.O.O.O.O.O.O=[C]O[Tb](O[C]=O)(O[C]=O)O[C]=O.O=[C]O[Tb](O[C]=O)(O[C]=O)O[C]=O. RCSR code: flu. The MOF has largest included sphere 7.23 A, density 1.27 g/cm3, surface area 3626.59 m2/g, accessible volume 0.38 cm3/g