GdCuC12P4N4H23O12Cl crystallizes in the triclinic P-1 space group. There are two inequivalent Gd sites. In the first Gd site, Gd(1) is bonded to one O(12), one O(13), one O(2), one O(3), one O(4), and one O(5) atom to form GdO6 octahedra that share  a cornercorner with one P(1)CO3 tetrahedra,  a cornercorner with one P(4)CO3 tetrahedra,  a cornercorner with one P(5)CO3 tetrahedra,  a cornercorner with one P(7)CO3 tetrahedra, and corners with two equivalent P(2)CO3 tetrahedra. The Gd(1)-O(12) bond length is 2.25 Å. The Gd(1)-O(13) bond length is 2.29 Å. The Gd(1)-O(2) bond length is 2.30 Å. The Gd(1)-O(3) bond length is 2.27 Å. The Gd(1)-O(4) bond length is 2.29 Å. The Gd(1)-O(5) bond length is 2.29 Å. In the second Gd site, Gd(2) is bonded to one O(1), one O(15), one O(6), one O(7), one O(8), and one O(9) atom to form GdO6 octahedra that share  a cornercorner with one P(4)CO3 tetrahedra,  a cornercorner with one P(5)CO3 tetrahedra,  a cornercorner with one P(6)CO3 tetrahedra,  a cornercorner with one P(8)CO3 tetrahedra, and corners with two equivalent P(3)CO3 tetrahedra. The Gd(2)-O(1) bond length is 2.29 Å. The Gd(2)-O(15) bond length is 2.29 Å. The Gd(2)-O(6) bond length is 2.30 Å. The Gd(2)-O(7) bond length is 2.27 Å. The Gd(2)-O(8) bond length is 2.28 Å. The Gd(2)-O(9) bond length is 2.28 Å. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one N(5), one N(6), one N(7), one N(8), and one Cl(2) atom to form distorted CuN4Cl trigonal bipyramids that share  a cornercorner with one C(16)PH2N tetrahedra,  a cornercorner with one C(3)PH2N tetrahedra,  a cornercorner with one C(5)PH2N tetrahedra, and  a cornercorner with one C(6)PH2N tetrahedra. The Cu(1)-N(5) bond length is 2.11 Å. The Cu(1)-N(6) bond length is 2.09 Å. The Cu(1)-N(7) bond length is 2.04 Å. The Cu(1)-N(8) bond length is 2.06 Å. The Cu(1)-Cl(2) bond length is 2.38 Å. In the second Cu site, Cu(2) is bonded to one N(1), one N(2), one N(3), one N(4), and one Cl(1) atom to form distorted CuN4Cl trigonal bipyramids that share  a cornercorner with one C(15)PH2N tetrahedra,  a cornercorner with one C(2)PH2N tetrahedra,  a cornercorner with one C(7)PH2N tetrahedra, and  a cornercorner with one C(9)PH2N tetrahedra. The Cu(2)-N(1) bond length is 2.05 Å. The Cu(2)-N(2) bond length is 2.13 Å. The Cu(2)-N(3) bond length is 2.13 Å. The Cu(2)-N(4) bond length is 2.04 Å. The Cu(2)-Cl(1) bond length is 2.38 Å. There are twenty-four inequivalent C sites. In the first C site, C(1) is bonded in a 3-coordinate geometry to one N(4) and two equivalent H(1,2) atoms. The C(1)-N(4) bond length is 1.48 Å. Both C(1)-H(1,2) bond lengths are 0.97 Å. In the second C site, C(2) is bonded to one P(8), one N(4), one H(3), and one H(4) atom to form distorted CPH2N tetrahedra that share  a cornercorner with one Cu(2)N4Cl trigonal bipyramid. The C(2)-P(8) bond length is 1.84 Å. The C(2)-N(4) bond length is 1.47 Å. The C(2)-H(3) bond length is 0.97 Å. The C(2)-H(4) bond length is 0.97 Å. In the third C site, C(3) is bonded to one P(4), one N(5), one H(5), and one H(6) atom to form distorted CPH2N tetrahedra that share  a cornercorner with one Cu(1)N4Cl trigonal bipyramid. The C(3)-P(4) bond length is 1.86 Å. The C(3)-N(5) bond length is 1.46 Å. The C(3)-H(5) bond length is 0.97 Å. The C(3)-H(6) bond length is 0.97 Å. In the fourth C site, C(4) is bonded in a 3-coordinate geometry to one N(1) and two equivalent H(7,8,27,28) atoms. The C(4)-N(1) bond length is 1.49 Å. Both C(4)-H(7,8,27,28) bond lengths are 0.97 Å. In the fifth C site, C(5) is bonded to one P(5), one N(6), one H(10), and one H(9) atom to form distorted CPH2N tetrahedra that share  a cornercorner with one Cu(1)N4Cl trigonal bipyramid. The C(5)-P(5) bond length is 1.82 Å. The C(5)-N(6) bond length is 1.47 Å. The C(5)-H(10) bond length is 0.97 Å. The C(5)-H(9) bond length is 0.97 Å. In the sixth C site, C(6) is bonded to one P(1); one N(8); and two equivalent H(11,12) atoms to form distorted CPH2N tetrahedra that share  a cornercorner with one Cu(1)N4Cl trigonal bipyramid. The C(6)-P(1) bond length is 1.83 Å. The C(6)-N(8) bond length is 1.49 Å. Both C(6)-H(11,12) bond lengths are 0.97 Å. In the seventh C site, C(7) is bonded to one P(3), one N(3), one H(13), and one H(14) atom to form distorted CPH2N tetrahedra that share  a cornercorner with one Cu(2)N4Cl trigonal bipyramid. The C(7)-P(3) bond length is 1.83 Å. The C(7)-N(3) bond length is 1.49 Å. The C(7)-H(13) bond length is 0.97 Å. The C(7)-H(14) bond length is 0.97 Å. In the eighth C site, C(8) is bonded in a 3-coordinate geometry to one N(2) and two equivalent H(15,16) atoms. The C(8)-N(2) bond length is 1.50 Å. Both C(8)-H(15,16) bond lengths are 0.97 Å. In the ninth C site, C(9) is bonded to one P(2); one N(2); and two equivalent H(17,18) atoms to form distorted CPH2N tetrahedra that share  a cornercorner with one Cu(2)N4Cl trigonal bipyramid. The C(9)-P(2) bond length is 1.83 Å. The C(9)-N(2) bond length is 1.48 Å. Both C(9)-H(17,18) bond lengths are 0.97 Å. In the tenth C site, C(10) is bonded in a 3-coordinate geometry to one N(2), one H(19), and one H(20) atom. The C(10)-N(2) bond length is 1.48 Å. The C(10)-H(19) bond length is 0.97 Å. The C(10)-H(20) bond length is 0.97 Å. In the eleventh C site, C(11) is bonded in a 3-coordinate geometry to one N(4), one H(21), and one H(22) atom. The C(11)-N(4) bond length is 1.50 Å. The C(11)-H(21) bond length is 0.97 Å. The C(11)-H(22) bond length is 0.97 Å. In the twelfth C site, C(12) is bonded in a 3-coordinate geometry to one N(3) and two equivalent H(23,24) atoms. The C(12)-N(3) bond length is 1.47 Å. Both C(12)-H(23,24) bond lengths are 0.97 Å. In the thirteenth C site, C(13) is bonded in a 3-coordinate geometry to one N(3) and two equivalent H(25,26) atoms. The C(13)-N(3) bond length is 1.51 Å. Both C(13)-H(25,26) bond lengths are 0.97 Å. In the fourteenth C site, C(14) is bonded in a 3-coordinate geometry to one N(1) and two equivalent H(7,8,27,28) atoms. The C(14)-N(1) bond length is 1.48 Å. Both C(14)-H(7,8,27,28) bond lengths are 0.97 Å. In the fifteenth C site, C(15) is bonded to one P(7); one N(1); and two equivalent H(29,30) atoms to form distorted CPH2N tetrahedra that share  a cornercorner with one Cu(2)N4Cl trigonal bipyramid. The C(15)-P(7) bond length is 1.82 Å. The C(15)-N(1) bond length is 1.49 Å. Both C(15)-H(29,30) bond lengths are 0.97 Å. In the sixteenth C site, C(16) is bonded to one P(6), one N(7), one H(31), and one H(32) atom to form distorted CPH2N tetrahedra that share  a cornercorner with one Cu(1)N4Cl trigonal bipyramid. The C(16)-P(6) bond length is 1.82 Å. The C(16)-N(7) bond length is 1.48 Å. The C(16)-H(31) bond length is 0.97 Å. The C(16)-H(32) bond length is 0.97 Å. In the seventeenth C site, C(17) is bonded in a 3-coordinate geometry to one N(6) and two equivalent H(33,34) atoms. The C(17)-N(6) bond length is 1.38 Å. Both C(17)-H(33,34) bond lengths are 0.97 Å. In the eighteenth C site, C(18) is bonded in a 4-coordinate geometry to one C(23), one N(5), one H(35), and one H(36) atom. The C(18)-C(23) bond length is 1.37 Å. The C(18)-N(5) bond length is 1.45 Å. The C(18)-H(35) bond length is 0.97 Å. The C(18)-H(36) bond length is 0.97 Å. In the nineteenth C site, C(19) is bonded in a 2-coordinate geometry to one N(8), one H(37), and one H(38) atom. The C(19)-N(8) bond length is 1.63 Å. The C(19)-H(37) bond length is 0.97 Å. The C(19)-H(38) bond length is 0.97 Å. In the twentieth C site, C(20) is bonded in a distorted water-like geometry to one C(21), one N(6), one H(39), and one H(40) atom. The C(20)-C(21) bond length is 1.36 Å. The C(20)-N(6) bond length is 1.65 Å. The C(20)-H(39) bond length is 0.97 Å. The C(20)-H(40) bond length is 0.97 Å. In the twenty-first C site, C(21) is bonded in a 4-coordinate geometry to one C(20), one N(7), one H(41), and one H(42) atom. The C(21)-N(7) bond length is 1.43 Å. The C(21)-H(41) bond length is 0.97 Å. The C(21)-H(42) bond length is 0.97 Å. In the twenty-second C site, C(22) is bonded in a bent 120 degrees geometry to one C(24) and one N(5) atom. The C(22)-C(24) bond length is 1.32 Å. The C(22)-N(5) bond length is 1.58 Å. In the twenty-third C site, C(23) is bonded in a 4-coordinate geometry to one C(18), one N(7), one H(43), and one H(44) atom. The C(23)-N(7) bond length is 1.51 Å. The C(23)-H(43) bond length is 0.97 Å. The C(23)-H(44) bond length is 0.97 Å. In the twenty-fourth C site, C(24) is bonded in a 4-coordinate geometry to one C(22), one N(8), one H(45), and one H(46) atom. The C(24)-N(8) bond length is 1.42 Å. The C(24)-H(45) bond length is 0.97 Å. The C(24)-H(46) bond length is 0.97 Å. There are eight inequivalent P sites. In the first P site, P(1) is bonded to one C(6), one O(13), one O(18), and one O(23) atom to form PCO3 tetrahedra that share  a cornercorner with one Gd(1)O6 octahedra and  a cornercorner with one N(8)CuC3 tetrahedra. The corner-sharing octahedral tilt angles are 34°. The P(1)-O(13) bond length is 1.51 Å. The P(1)-O(18) bond length is 1.53 Å. The P(1)-O(23) bond length is 1.51 Å. In the second P site, P(2) is bonded to one C(9), one O(12), one O(16), and one O(2) atom to form distorted PCO3 tetrahedra that share corners with two equivalent Gd(1)O6 octahedra and  a cornercorner with one N(2)CuC3 tetrahedra. The corner-sharing octahedral tilt angles range from 14-32°. The P(2)-O(12) bond length is 1.51 Å. The P(2)-O(16) bond length is 1.56 Å. The P(2)-O(2) bond length is 1.50 Å. In the third P site, P(3) is bonded to one C(7), one O(1), one O(19), and one O(6) atom to form PCO3 tetrahedra that share corners with two equivalent Gd(2)O6 octahedra and  a cornercorner with one N(3)CuC3 tetrahedra. The corner-sharing octahedral tilt angles range from 16-30°. The P(3)-O(1) bond length is 1.51 Å. The P(3)-O(19) bond length is 1.56 Å. The P(3)-O(6) bond length is 1.51 Å. In the fourth P site, P(4) is bonded to one C(3), one O(10), one O(15), and one O(5) atom to form distorted PCO3 tetrahedra that share  a cornercorner with one Gd(1)O6 octahedra,  a cornercorner with one Gd(2)O6 octahedra, and  a cornercorner with one N(5)CuC3 tetrahedra. The corner-sharing octahedral tilt angles range from 13-24°. The P(4)-O(10) bond length is 1.56 Å. The P(4)-O(15) bond length is 1.49 Å. The P(4)-O(5) bond length is 1.49 Å. In the fifth P site, P(5) is bonded to one C(5), one O(14), one O(3), and one O(7) atom to form distorted PCO3 tetrahedra that share  a cornercorner with one Gd(1)O6 octahedra,  a cornercorner with one Gd(2)O6 octahedra, and  a cornercorner with one N(6)CuC3 tetrahedra. The corner-sharing octahedral tilt angles range from 13-22°. The P(5)-O(14) bond length is 1.57 Å. The P(5)-O(3) bond length is 1.51 Å. The P(5)-O(7) bond length is 1.50 Å. In the sixth P site, P(6) is bonded to one C(16), one O(11), one O(22), and one O(9) atom to form PCO3 tetrahedra that share  a cornercorner with one Gd(2)O6 octahedra and  a cornercorner with one N(7)CuC3 tetrahedra. The corner-sharing octahedral tilt angles are 34°. The P(6)-O(11) bond length is 1.51 Å. The P(6)-O(22) bond length is 1.52 Å. The P(6)-O(9) bond length is 1.50 Å. In the seventh P site, P(7) is bonded to one C(15), one O(17), one O(20), and one O(4) atom to form distorted PCO3 tetrahedra that share  a cornercorner with one Gd(1)O6 octahedra and  a cornercorner with one N(1)CuC3 tetrahedra. The corner-sharing octahedral tilt angles are 35°. The P(7)-O(17) bond length is 1.57 Å. The P(7)-O(20) bond length is 1.51 Å. The P(7)-O(4) bond length is 1.49 Å. In the eighth P site, P(8) is bonded to one C(2), one O(21), one O(24), and one O(8) atom to form distorted PCO3 tetrahedra that share  a cornercorner with one Gd(2)O6 octahedra and  a cornercorner with one N(4)CuC3 tetrahedra. The corner-sharing octahedral tilt angles are 31°. The P(8)-O(21) bond length is 1.52 Å. The P(8)-O(24) bond length is 1.56 Å. The P(8)-O(8) bond length is 1.51 Å. There are eight inequivalent N sites. In the first N site, N(1) is bonded to one Cu(2), one C(14), one C(15), and one C(4) atom to form NCuC3 tetrahedra that share  a cornercorner with one P(7)CO3 tetrahedra,  a cornercorner with one N(2)CuC3 tetrahedra,  a cornercorner with one N(3)CuC3 tetrahedra, and  a cornercorner with one N(4)CuC3 tetrahedra. In the second N site, N(2) is bonded to one Cu(2), one C(10), one C(8), and one C(9) atom to form NCuC3 tetrahedra that share  a cornercorner with one P(2)CO3 tetrahedra,  a cornercorner with one N(1)CuC3 tetrahedra,  a cornercorner with one N(3)CuC3 tetrahedra, and  a cornercorner with one N(4)CuC3 tetrahedra. In the third N site, N(3) is bonded to one Cu(2), one C(12), one C(13), and one C(7) atom to form NCuC3 tetrahedra that share  a cornercorner with one P(3)CO3 tetrahedra,  a cornercorner with one N(1)CuC3 tetrahedra,  a cornercorner with one N(2)CuC3 tetrahedra, and  a cornercorner with one N(4)CuC3 tetrahedra. In the fourth N site, N(4) is bonded to one Cu(2), one C(1), one C(11), and one C(2) atom to form NCuC3 tetrahedra that share  a cornercorner with one P(8)CO3 tetrahedra,  a cornercorner with one N(1)CuC3 tetrahedra,  a cornercorner with one N(2)CuC3 tetrahedra, and  a cornercorner with one N(3)CuC3 tetrahedra. In the fifth N site, N(5) is bonded to one Cu(1), one C(18), one C(22), and one C(3) atom to form NCuC3 tetrahedra that share  a cornercorner with one P(4)CO3 tetrahedra,  a cornercorner with one N(6)CuC3 tetrahedra,  a cornercorner with one N(7)CuC3 tetrahedra, and  a cornercorner with one N(8)CuC3 tetrahedra. In the sixth N site, N(6) is bonded to one Cu(1), one C(17), one C(20), and one C(5) atom to form distorted NCuC3 tetrahedra that share  a cornercorner with one P(5)CO3 tetrahedra,  a cornercorner with one N(5)CuC3 tetrahedra,  a cornercorner with one N(7)CuC3 tetrahedra, and  a cornercorner with one N(8)CuC3 tetrahedra. In the seventh N site, N(7) is bonded to one Cu(1), one C(16), one C(21), and one C(23) atom to form NCuC3 tetrahedra that share  a cornercorner with one P(6)CO3 tetrahedra,  a cornercorner with one N(5)CuC3 tetrahedra,  a cornercorner with one N(6)CuC3 tetrahedra, and  a cornercorner with one N(8)CuC3 tetrahedra. In the eighth N site, N(8) is bonded to one Cu(1), one C(19), one C(24), and one C(6) atom to form NCuC3 tetrahedra that share  a cornercorner with one P(1)CO3 tetrahedra,  a cornercorner with one N(5)CuC3 tetrahedra,  a cornercorner with one N(6)CuC3 tetrahedra, and  a cornercorner with one N(7)CuC3 tetrahedra. There are thirty-five inequivalent H sites. In the first H site, H(1,2) is bonded in a single-bond geometry to one C(1) atom. In the second H site, H(3) is bonded in a single-bond geometry to one C(2) atom. In the third H site, H(4) is bonded in a single-bond geometry to one C(2) atom. In the fourth H site, H(5) is bonded in a single-bond geometry to one C(3) atom. In the fifth H site, H(6) is bonded in a single-bond geometry to one C(3) atom. In the sixth H site, H(7,8,27,28) is bonded in a single-bond geometry to one C(4) atom. In the seventh H site, H(9) is bonded in a single-bond geometry to one C(5) atom. In the eighth H site, H(10) is bonded in a single-bond geometry to one C(5) atom. In the ninth H site, H(11,12) is bonded in a single-bond geometry to one C(6) atom. In the tenth H site, H(13) is bonded in a single-bond geometry to one C(7) atom. In the eleventh H site, H(14) is bonded in a single-bond geometry to one C(7) atom. In the twelfth H site, H(15,16) is bonded in a single-bond geometry to one C(8) atom. In the thirteenth H site, H(17,18) is bonded in a single-bond geometry to one C(9) atom. In the fourteenth H site, H(19) is bonded in a single-bond geometry to one C(10) atom. In the fifteenth H site, H(20) is bonded in a single-bond geometry to one C(10) atom. In the sixteenth H site, H(21) is bonded in a single-bond geometry to one C(11) atom. In the seventeenth H site, H(22) is bonded in a single-bond geometry to one C(11) atom. In the eighteenth H site, H(23,24) is bonded in a single-bond geometry to one C(12) atom. In the nineteenth H site, H(25,26) is bonded in a single-bond geometry to one C(13) atom. In the twentieth H site, H(29,30) is bonded in a single-bond geometry to one C(15) atom. In the twenty-first H site, H(31) is bonded in a single-bond geometry to one C(16) atom. In the twenty-second H site, H(32) is bonded in a single-bond geometry to one C(16) atom. In the twenty-third H site, H(33,34) is bonded in a single-bond geometry to one C(17) atom. In the twenty-fourth H site, H(35) is bonded in a single-bond geometry to one C(18) atom. In the twenty-fifth H site, H(36) is bonded in a single-bond geometry to one C(18) atom. In the twenty-sixth H site, H(37) is bonded in a single-bond geometry to one C(19) atom. In the twenty-seventh H site, H(38) is bonded in a single-bond geometry to one C(19) atom. In the twenty-eighth H site, H(39) is bonded in a single-bond geometry to one C(20) atom. In the twenty-ninth H site, H(40) is bonded in a single-bond geometry to one C(20) atom. In the thirtieth H site, H(41) is bonded in a single-bond geometry to one C(21) atom. In the thirty-first H site, H(42) is bonded in a single-bond geometry to one C(21) atom. In the thirty-second H site, H(43) is bonded in a single-bond geometry to one C(23) atom. In the thirty-third H site, H(44) is bonded in a single-bond geometry to one C(23) atom. In the thirty-fourth H site, H(45) is bonded in a single-bond geometry to one C(24) atom. In the thirty-fifth H site, H(46) is bonded in a single-bond geometry to one C(24) atom. There are twenty-four inequivalent O sites. In the first O site, O(1) is bonded in a distorted linear geometry to one Gd(2) and one P(3) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Gd(1) and one P(2) atom. In the third O site, O(3) is bonded in a distorted linear geometry to one Gd(1) and one P(5) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one Gd(1) and one P(7) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one Gd(1) and one P(4) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one Gd(2) and one P(3) atom. In the seventh O site, O(7) is bonded in a bent 150 degrees geometry to one Gd(2) and one P(5) atom. In the eighth O site, O(8) is bonded in a bent 150 degrees geometry to one Gd(2) and one P(8) atom. In the ninth O site, O(9) is bonded in a bent 150 degrees geometry to one Gd(2) and one P(6) atom. In the tenth O site, O(10) is bonded in a single-bond geometry to one P(4) atom. In the eleventh O site, O(11) is bonded in a single-bond geometry to one P(6) atom. In the twelfth O site, O(12) is bonded in a distorted linear geometry to one Gd(1) and one P(2) atom. In the thirteenth O site, O(13) is bonded in a bent 150 degrees geometry to one Gd(1) and one P(1) atom. In the fourteenth O site, O(14) is bonded in a single-bond geometry to one P(5) atom. In the fifteenth O site, O(15) is bonded in a distorted linear geometry to one Gd(2) and one P(4) atom. In the sixteenth O site, O(16) is bonded in a single-bond geometry to one P(2) atom. In the seventeenth O site, O(17) is bonded in a single-bond geometry to one P(7) atom. In the eighteenth O site, O(18) is bonded in a single-bond geometry to one P(1) atom. In the nineteenth O site, O(19) is bonded in a single-bond geometry to one P(3) atom. In the twentieth O site, O(20) is bonded in a single-bond geometry to one P(7) atom. In the twenty-first O site, O(21) is bonded in a single-bond geometry to one P(8) atom. In the twenty-second O site, O(22) is bonded in a single-bond geometry to one P(6) atom. In the twenty-third O site, O(23) is bonded in a single-bond geometry to one P(1) atom. In the twenty-fourth O site, O(24) is bonded in a single-bond geometry to one P(8) atom. There are two inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a single-bond geometry to one Cu(2) atom. In the second Cl site, Cl(2) is bonded in a single-bond geometry to one Cu(1) atom. Linkers: 2 [O]P([O])(=O)CN1[C]CN(CP([O])([O])=O)CCN(CP([O])([O])=O)CCN(CP([O])([O])=O)CC1 ,2 [O]P([O])(=O)CN1CCN(CP([O])([O])=O)CCN(CP([O])([O])=O)CCN(CP([O])([O])=O)CC1. Metal clusters: 4 [Gd] ,4 [Cu]. The MOF has largest included sphere 4.99 A, density 1.81 g/cm3, surface area 3213.06 m2/g, accessible volume 0.18 cm3/g