GdC27H12(NO2)6 crystallizes in the triclinic P1 space group. There are two inequivalent Gd sites. In the first Gd site, Gd(1) is bonded in a 6-coordinate geometry to one O(22), one O(23), one O(24), one O(7), one O(8), and one O(9) atom. The Gd(1)-O(22) bond length is 2.27 Å. The Gd(1)-O(23) bond length is 2.27 Å. The Gd(1)-O(24) bond length is 2.27 Å. The Gd(1)-O(7) bond length is 2.37 Å. The Gd(1)-O(8) bond length is 2.38 Å. The Gd(1)-O(9) bond length is 2.37 Å. In the second Gd site, Gd(2) is bonded in a 6-coordinate geometry to one O(10), one O(11), one O(12), one O(19), one O(20), and one O(21) atom. The Gd(2)-O(10) bond length is 2.38 Å. The Gd(2)-O(11) bond length is 2.38 Å. The Gd(2)-O(12) bond length is 2.37 Å. The Gd(2)-O(19) bond length is 2.27 Å. The Gd(2)-O(20) bond length is 2.27 Å. The Gd(2)-O(21) bond length is 2.27 Å. There are forty-eight inequivalent C sites. In the first C site, C(1) is bonded in a trigonal planar geometry to one N(1); one N(2,3); and one N(7) atom. The C(1)-N(1) bond length is 1.35 Å. The C(1)-N(2,3) bond length is 1.35 Å. The C(1)-N(7) bond length is 1.38 Å. In the second C site, C(2) is bonded in a trigonal planar geometry to one N(1); one N(2,3); and one N(8) atom. The C(2)-N(1) bond length is 1.35 Å. The C(2)-N(2,3) bond length is 1.35 Å. The C(2)-N(8) bond length is 1.38 Å. In the third C site, C(3) is bonded in a trigonal planar geometry to one N(9) and two equivalent N(2,3) atoms. The C(3)-N(9) bond length is 1.38 Å. Both C(3)-N(2,3) bond lengths are 1.35 Å. In the fourth C site, C(4) is bonded in a trigonal planar geometry to one N(10) and two equivalent N(4,6) atoms. The C(4)-N(10) bond length is 1.38 Å. Both C(4)-N(4,6) bond lengths are 1.35 Å. In the fifth C site, C(5) is bonded in a trigonal planar geometry to one N(11); one N(4,6); and one N(5) atom. The C(5)-N(11) bond length is 1.38 Å. The C(5)-N(4,6) 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 trigonal planar geometry to one N(12); one N(4,6); and one N(5) atom. The C(6)-N(12) bond length is 1.38 Å. The C(6)-N(4,6) bond length is 1.35 Å. The C(6)-N(5) bond length is 1.35 Å. In the seventh C site, C(7) is bonded in a distorted single-bond geometry to one N(7) atom. The C(7)-N(7) bond length is 1.38 Å. In the eighth C site, C(8) is bonded in a distorted single-bond geometry to one N(8) atom. The C(8)-N(8) bond length is 1.38 Å. In the ninth C site, C(9) is bonded in a distorted single-bond geometry to one N(9) atom. The C(9)-N(9) bond length is 1.38 Å. In the tenth C site, C(10) is bonded in a distorted single-bond geometry to one N(10) atom. The C(10)-N(10) bond length is 1.38 Å. In the eleventh C site, C(11) is bonded in a distorted single-bond geometry to one N(11) atom. The C(11)-N(11) bond length is 1.38 Å. In the twelfth C site, C(12) is bonded in a distorted single-bond geometry to one N(12) atom. The C(12)-N(12) bond length is 1.38 Å. In the thirteenth C site, C(13) is bonded in a distorted single-bond geometry to one C(19) and one H(1,2,3,4,5,6) atom. The C(13)-C(19) bond length is 1.38 Å. The C(13)-H(1,2,3,4,5,6) bond length is 1.09 Å. In the fourteenth C site, C(14,17,18) is bonded in a distorted single-bond geometry to one C(20) and one H(1,2,3,4,5,6) atom. The C(14,17,18)-C(20) bond length is 1.38 Å. The C(14,17,18)-H(1,2,3,4,5,6) bond length is 1.09 Å. In the fifteenth C site, C(15) is bonded in a distorted single-bond geometry to one C(21) and one H(1,2,3,4,5,6) atom. The C(15)-C(21) bond length is 1.38 Å. The C(15)-H(1,2,3,4,5,6) bond length is 1.09 Å. In the sixteenth C site, C(16) is bonded in a distorted single-bond geometry to one C(22) and one H(1,2,3,4,5,6) atom. The C(16)-C(22) bond length is 1.38 Å. The C(16)-H(1,2,3,4,5,6) bond length is 1.09 Å. In the seventeenth C site, C(19) is bonded in a trigonal planar geometry to one C(13), one C(25), and one C(43) atom. The C(19)-C(25) bond length is 1.41 Å. The C(19)-C(43) bond length is 1.50 Å. In the eighteenth C site, C(20) is bonded in a trigonal planar geometry to one C(14,17,18); one C(26); and one C(44) atom. The C(20)-C(26) bond length is 1.41 Å. The C(20)-C(44) bond length is 1.50 Å. In the nineteenth C site, C(21) is bonded in a trigonal planar geometry to one C(15); one C(27,30); and one C(45,48) atom. The C(21)-C(27,30) bond length is 1.41 Å. The C(21)-C(45,48) bond length is 1.50 Å. In the twentieth C site, C(22) is bonded in a trigonal planar geometry to one C(16), one C(28), and one C(46) atom. The C(22)-C(28) bond length is 1.41 Å. The C(22)-C(46) bond length is 1.50 Å. In the twenty-first C site, C(23) is bonded in a trigonal planar geometry to one C(14,17,18); one C(29); and one C(47) atom. The C(23)-C(14,17,18) bond length is 1.38 Å. The C(23)-C(29) bond length is 1.41 Å. The C(23)-C(47) bond length is 1.50 Å. In the twenty-second C site, C(24) is bonded in a trigonal planar geometry to one C(14,17,18); one C(27,30); and one C(45,48) atom. The C(24)-C(14,17,18) bond length is 1.38 Å. The C(24)-C(27,30) bond length is 1.41 Å. The C(24)-C(45,48) bond length is 1.50 Å. In the twenty-third C site, C(25) is bonded in a distorted trigonal planar geometry to one C(19); one C(31); and one H(7,9,10,12) atom. The C(25)-C(31) bond length is 1.40 Å. The C(25)-H(7,9,10,12) bond length is 1.09 Å. In the twenty-fourth C site, C(26) is bonded in a distorted trigonal planar geometry to one C(20); one C(32); and one H(8,11) atom. The C(26)-C(32) bond length is 1.40 Å. The C(26)-H(8,11) bond length is 1.09 Å. In the twenty-fifth C site, C(27,30) is bonded in a distorted trigonal planar geometry to one C(21); one C(33); and one H(7,9,10,12) atom. The C(27,30)-C(33) bond length is 1.40 Å. The C(27,30)-H(7,9,10,12) bond length is 1.09 Å. In the twenty-sixth C site, C(28) is bonded in a distorted trigonal planar geometry to one C(22); one C(34); and one H(7,9,10,12) atom. The C(28)-C(34) bond length is 1.40 Å. The C(28)-H(7,9,10,12) bond length is 1.09 Å. In the twenty-seventh C site, C(29) is bonded in a distorted trigonal planar geometry to one C(23); one C(35); and one H(8,11) atom. The C(29)-C(35) bond length is 1.40 Å. The C(29)-H(8,11) bond length is 1.09 Å. In the twenty-eighth C site, C(31) is bonded in a trigonal planar geometry to one C(25), one C(37), and one C(49) atom. The C(31)-C(37) bond length is 1.39 Å. The C(31)-C(49) bond length is 1.51 Å. In the twenty-ninth C site, C(32) is bonded in a trigonal planar geometry to one C(26); one C(38,40); and one C(50) atom. The C(32)-C(38,40) bond length is 1.39 Å. The C(32)-C(50) bond length is 1.51 Å. In the thirtieth C site, C(33) is bonded in a trigonal planar geometry to one C(27,30); one C(39,42); and one C(51) atom. The C(33)-C(39,42) bond length is 1.39 Å. The C(33)-C(51) bond length is 1.51 Å. In the thirty-first C site, C(34) is bonded in a trigonal planar geometry to one C(28); one C(38,40); and one C(52) atom. The C(34)-C(38,40) bond length is 1.39 Å. The C(34)-C(52) bond length is 1.51 Å. In the thirty-second C site, C(35) is bonded in a trigonal planar geometry to one C(29), one C(41), and one C(53) atom. The C(35)-C(41) bond length is 1.39 Å. The C(35)-C(53) bond length is 1.51 Å. In the thirty-third C site, C(36) is bonded in a trigonal planar geometry to one C(27,30); one C(39,42); and one C(54) atom. The C(36)-C(27,30) bond length is 1.40 Å. The C(36)-C(39,42) bond length is 1.39 Å. The C(36)-C(54) bond length is 1.51 Å. In the thirty-fourth C site, C(37) is bonded in a distorted single-bond geometry to one C(31) and one H(13,15,16,18) atom. The C(37)-H(13,15,16,18) bond length is 1.09 Å. In the thirty-fifth C site, C(38,40) is bonded in a distorted single-bond geometry to one C(32) and one H(14,17) atom. The C(38,40)-H(14,17) bond length is 1.09 Å. In the thirty-sixth C site, C(39,42) is bonded in a distorted single-bond geometry to one C(33) and one H(13,15,16,18) atom. The C(39,42)-H(13,15,16,18) bond length is 1.09 Å. In the thirty-seventh C site, C(41) is bonded in a distorted single-bond geometry to one C(35) and one H(14,17) atom. The C(41)-H(14,17) bond length is 1.09 Å. In the thirty-eighth C site, C(43) is bonded in a bent 120 degrees geometry to one C(19), one O(1), and one O(7) atom. The C(43)-O(1) bond length is 1.26 Å. The C(43)-O(7) bond length is 1.28 Å. In the thirty-ninth C site, C(44) is bonded in a bent 120 degrees geometry to one C(20), one O(2), and one O(8) atom. The C(44)-O(2) bond length is 1.26 Å. The C(44)-O(8) bond length is 1.28 Å. In the fortieth C site, C(45,48) is bonded in a bent 120 degrees geometry to one C(21), one O(3), and one O(9) atom. The C(45,48)-O(3) bond length is 1.26 Å. The C(45,48)-O(9) bond length is 1.28 Å. In the forty-first C site, C(46) is bonded in a bent 120 degrees geometry to one C(22), one O(10), and one O(4) atom. The C(46)-O(10) bond length is 1.28 Å. The C(46)-O(4) bond length is 1.26 Å. In the forty-second C site, C(47) is bonded in a bent 120 degrees geometry to one C(23), one O(11), and one O(5) atom. The C(47)-O(11) bond length is 1.28 Å. The C(47)-O(5) bond length is 1.26 Å. In the forty-third C site, C(49) is bonded in a distorted bent 120 degrees geometry to one C(31), one O(13), and one O(19) atom. The C(49)-O(13) bond length is 1.26 Å. The C(49)-O(19) bond length is 1.27 Å. In the forty-fourth C site, C(50) is bonded in a distorted bent 120 degrees geometry to one C(32), one O(14), and one O(20) atom. The C(50)-O(14) bond length is 1.26 Å. The C(50)-O(20) bond length is 1.27 Å. In the forty-fifth C site, C(51) is bonded in a distorted bent 120 degrees geometry to one C(33), one O(15), and one O(21) atom. The C(51)-O(15) bond length is 1.26 Å. The C(51)-O(21) bond length is 1.27 Å. In the forty-sixth C site, C(52) is bonded in a distorted bent 120 degrees geometry to one C(34), one O(16), and one O(22) atom. The C(52)-O(16) bond length is 1.26 Å. The C(52)-O(22) bond length is 1.27 Å. In the forty-seventh C site, C(53) is bonded in a distorted bent 120 degrees geometry to one C(35), one O(17), and one O(23) atom. The C(53)-O(17) bond length is 1.26 Å. The C(53)-O(23) bond length is 1.27 Å. In the forty-eighth C site, C(54) is bonded in a distorted bent 120 degrees geometry to one C(36), one O(18), and one O(24) atom. The C(54)-O(18) bond length is 1.26 Å. The C(54)-O(24) bond length is 1.27 Å. There are ten inequivalent N sites. In the first N site, N(1) is bonded in a bent 120 degrees geometry to one C(1) and one C(2) atom. In the second N site, N(2,3) is bonded in a bent 120 degrees geometry to one C(2) and one C(3) atom. In the third N site, N(4,6) is bonded in a bent 120 degrees geometry to one C(4) and one C(5) atom. In the fourth N site, N(5) is bonded in a bent 120 degrees geometry to one C(5) and one C(6) atom. In the fifth N site, N(7) is bonded in a trigonal planar geometry to one C(1), one C(7), and one H(19) atom. The N(7)-H(19) bond length is 1.06 Å. In the sixth N site, N(8) is bonded in a trigonal planar geometry to one C(2), one C(8), and one H(20) atom. The N(8)-H(20) bond length is 1.06 Å. In the seventh N site, N(9) is bonded in a trigonal planar geometry to one C(3), one C(9), and one H(21) atom. The N(9)-H(21) bond length is 1.06 Å. In the eighth N site, N(10) is bonded in a trigonal planar geometry to one C(10), one C(4), and one H(22) atom. The N(10)-H(22) bond length is 1.06 Å. In the ninth N site, N(11) is bonded in a trigonal planar geometry to one C(11), one C(5), and one H(23) atom. The N(11)-H(23) bond length is 1.06 Å. In the tenth N site, N(12) is bonded in a trigonal planar geometry to one C(12), one C(6), and one H(24) atom. The N(12)-H(24) bond length is 1.06 Å. There are eleven inequivalent H sites. In the first H site, H(1,2,3,4,5,6) is bonded in a single-bond geometry to one C(13) atom. In the second H site, H(7,9,10,12) is bonded in a single-bond geometry to one C(25) atom. In the third H site, H(8,11) is bonded in a single-bond geometry to one C(26) atom. In the fourth H site, H(13,15,16,18) is bonded in a single-bond geometry to one C(37) atom. In the fifth H site, H(14,17) is bonded in a single-bond geometry to one C(38,40) atom. In the sixth H site, H(19) is bonded in a distorted linear geometry to one N(7) and one O(15) atom. The H(19)-O(15) bond length is 1.60 Å. In the seventh H site, H(20) is bonded in a distorted linear geometry to one N(8) and one O(13) atom. The H(20)-O(13) bond length is 1.60 Å. In the eighth H site, H(21) is bonded in a distorted linear geometry to one N(9) and one O(14) atom. The H(21)-O(14) bond length is 1.60 Å. In the ninth H site, H(22) is bonded in a distorted linear geometry to one N(10) and one O(18) atom. The H(22)-O(18) bond length is 1.61 Å. In the tenth H site, H(23) is bonded in a distorted linear geometry to one N(11) and one O(16) atom. The H(23)-O(16) bond length is 1.61 Å. In the eleventh H site, H(24) is bonded in a distorted linear geometry to one N(12) and one O(17) atom. The H(24)-O(17) bond length is 1.60 Å. There are twenty-four inequivalent O sites. In the first O site, O(1) is bonded in a single-bond geometry to one C(43) atom. In the second O site, O(2) is bonded in a single-bond geometry to one C(44) atom. In the third O site, O(3) is bonded in a single-bond geometry to one C(45,48) atom. In the fourth O site, O(4) is bonded in a single-bond geometry to one C(46) atom. In the fifth O site, O(5) is bonded in a single-bond geometry to one C(47) atom. In the sixth O site, O(6) is bonded in a single-bond geometry to one C(45,48) atom. The O(6)-C(45,48) bond length is 1.26 Å. In the seventh O site, O(7) is bonded in a water-like geometry to one Gd(1) and one C(43) atom. In the eighth O site, O(8) is bonded in a water-like geometry to one Gd(1) and one C(44) atom. In the ninth O site, O(9) is bonded in a water-like geometry to one Gd(1) and one C(45,48) atom. In the tenth O site, O(10) is bonded in a water-like geometry to one Gd(2) and one C(46) atom. In the eleventh O site, O(11) is bonded in a water-like geometry to one Gd(2) and one C(47) atom. In the twelfth O site, O(12) is bonded in a water-like geometry to one Gd(2) and one C(45,48) atom. The O(12)-C(45,48) bond length is 1.28 Å. In the thirteenth O site, O(13) is bonded in a distorted bent 150 degrees geometry to one C(49) and one H(20) atom. In the fourteenth O site, O(14) is bonded in a distorted bent 150 degrees geometry to one C(50) and one H(21) atom. In the fifteenth O site, O(15) is bonded in a distorted bent 150 degrees geometry to one C(51) and one H(19) atom. In the sixteenth O site, O(16) is bonded in a bent 150 degrees geometry to one C(52) and one H(23) atom. In the seventeenth O site, O(17) is bonded in a distorted bent 150 degrees geometry to one C(53) and one H(24) atom. In the eighteenth O site, O(18) is bonded in a bent 150 degrees geometry to one C(54) and one H(22) atom. In the nineteenth O site, O(19) is bonded in a linear geometry to one Gd(2) and one C(49) atom. In the twentieth O site, O(20) is bonded in a linear geometry to one Gd(2) and one C(50) atom. In the twenty-first O site, O(21) is bonded in a linear geometry to one Gd(2) and one C(51) atom. In the twenty-second O site, O(22) is bonded in a linear geometry to one Gd(1) and one C(52) atom. In the twenty-third O site, O(23) is bonded in a linear geometry to one Gd(1) and one C(53) atom. In the twenty-fourth O site, O(24) is bonded in a linear geometry to one Gd(1) and one C(54) atom. Linkers: 2 [O]C(=O)c1cc(NC2=NC(=[N]=C([N]2)Nc2cc(cc(c2)C(=O)[O])C(=O)[O])Nc2cc(cc(c2)C(=O)[O])C(=O)[O])cc(c1)C(=O)[O]. Metal clusters: 2 O=[C]O[Gd](O[C]=O)(O[C]=O)(O[C]=O)(O[C]=O)O[C]=O. RCSR code: nia. The MOF has largest included sphere 7.25 A, density 1.15 g/cm3, surface area 3570.50 m2/g, accessible volume 0.44 cm3/g