GdC27H20(N2O5)4CHC6H5O crystallizes in the monoclinic C2/c space group. The structure consists of eight (2e)-2-methylpenta-2,4-dienal molecules and eight 02329_fluka molecules inside a GdC27H20(N2O5)4 framework. In the GdC27H20(N2O5)4 framework, Gd(1) is bonded in a 9-coordinate geometry to one O(1), one O(14), one O(19), one O(2), one O(20), one O(3), one O(4), and two equivalent O(13) atoms. The Gd(1)-O(1) bond length is 2.38 Å. The Gd(1)-O(14) bond length is 2.48 Å. The Gd(1)-O(19) bond length is 2.40 Å. The Gd(1)-O(2) bond length is 2.41 Å. The Gd(1)-O(20) bond length is 2.39 Å. The Gd(1)-O(3) bond length is 2.44 Å. The Gd(1)-O(4) bond length is 2.46 Å. There is one shorter (2.34 Å) and one longer (2.76 Å) Gd(1)-O(13) bond length. There are twenty-seven inequivalent C sites. In the first C site, C(11) is bonded in a trigonal planar geometry to one C(10), one C(12), and one C(14) atom. The C(11)-C(10) bond length is 1.40 Å. The C(11)-C(12) bond length is 1.40 Å. The C(11)-C(14) bond length is 1.50 Å. In the second C site, C(12) is bonded in a distorted single-bond geometry to one C(11), one C(13), and one H(4) atom. The C(12)-C(13) bond length is 1.39 Å. The C(12)-H(4) bond length is 1.10 Å. In the third C site, C(13) is bonded in a distorted trigonal planar geometry to one C(12), one C(8), and one N(4) atom. The C(13)-C(8) bond length is 1.41 Å. The C(13)-N(4) bond length is 1.48 Å. In the fourth C site, C(14) is bonded in a distorted bent 120 degrees geometry to one C(11), one O(3), and one O(4) atom. The C(14)-O(3) bond length is 1.28 Å. The C(14)-O(4) bond length is 1.27 Å. In the fifth C site, C(15) is bonded in a distorted bent 120 degrees geometry to one C(16), one O(13), and one O(14) atom. The C(15)-C(16) bond length is 1.50 Å. The C(15)-O(13) bond length is 1.27 Å. The C(15)-O(14) bond length is 1.27 Å. In the sixth C site, C(16) is bonded in a trigonal planar geometry to one C(15), one C(17), and one C(21) atom. The C(16)-C(17) bond length is 1.40 Å. The C(16)-C(21) bond length is 1.39 Å. In the seventh C site, C(17) is bonded in a distorted trigonal planar geometry to one C(16), one C(18), and one H(5) atom. The C(17)-C(18) bond length is 1.39 Å. The C(17)-H(5) bond length is 1.09 Å. In the eighth C site, C(18) is bonded in a distorted trigonal planar geometry to one C(17), one C(19), and one N(5) atom. The C(18)-C(19) bond length is 1.41 Å. The C(18)-N(5) bond length is 1.47 Å. In the ninth C site, C(19) is bonded in a trigonal planar geometry to one C(18), one C(19), and one C(20) atom. The C(19)-C(19) bond length is 1.49 Å. The C(19)-C(20) bond length is 1.40 Å. In the tenth C site, C(20) is bonded in a trigonal planar geometry to one C(19), one C(21), and one N(6) atom. The C(20)-C(21) bond length is 1.39 Å. The C(20)-N(6) bond length is 1.47 Å. In the eleventh C site, C(21) is bonded in a distorted single-bond geometry to one C(16), one C(20), and one H(6) atom. The C(21)-H(6) bond length is 1.09 Å. In the twelfth C site, C(22) is bonded in a trigonal planar geometry to one N(7), one H(7), and one O(19) atom. The C(22)-N(7) bond length is 1.33 Å. The C(22)-H(7) bond length is 1.10 Å. The C(22)-O(19) bond length is 1.25 Å. In the thirteenth C site, C(23) is bonded to one N(7), one H(10), one H(8), and one H(9) atom to form corner-sharing CH3N tetrahedra. The C(23)-N(7) bond length is 1.46 Å. The C(23)-H(10) bond length is 1.10 Å. The C(23)-H(8) bond length is 1.10 Å. The C(23)-H(9) bond length is 1.10 Å. In the fourteenth C site, C(24) is bonded to one N(7), one H(11), one H(12), and one H(13) atom to form corner-sharing CH3N tetrahedra. The C(24)-N(7) bond length is 1.46 Å. The C(24)-H(11) bond length is 1.10 Å. The C(24)-H(12) bond length is 1.09 Å. The C(24)-H(13) bond length is 1.10 Å. In the fifteenth C site, C(25) is bonded in a trigonal planar geometry to one N(8), one H(14), and one O(20) atom. The C(25)-N(8) bond length is 1.34 Å. The C(25)-H(14) bond length is 1.10 Å. The C(25)-O(20) bond length is 1.25 Å. In the sixteenth C site, C(26) is bonded to one N(8), one H(15), one H(16), and one H(17) atom to form corner-sharing CH3N tetrahedra. The C(26)-N(8) bond length is 1.45 Å. The C(26)-H(15) bond length is 1.10 Å. The C(26)-H(16) bond length is 1.10 Å. The C(26)-H(17) bond length is 1.10 Å. In the seventeenth C site, C(27) is bonded to one N(8), one H(18), one H(19), and one H(20) atom to form corner-sharing CH3N tetrahedra. The C(27)-N(8) bond length is 1.46 Å. The C(27)-H(18) bond length is 1.10 Å. The C(27)-H(19) bond length is 1.09 Å. The C(27)-H(20) bond length is 1.10 Å. In the eighteenth C site, C(1) is bonded in a distorted bent 120 degrees geometry to one C(2), one O(1), and one O(2) atom. The C(1)-C(2) bond length is 1.51 Å. The C(1)-O(1) bond length is 1.27 Å. The C(1)-O(2) bond length is 1.27 Å. In the nineteenth C site, C(2) is bonded in a trigonal planar geometry to one C(1), one C(3), and one C(7) atom. The C(2)-C(3) bond length is 1.39 Å. The C(2)-C(7) bond length is 1.39 Å. In the twentieth C site, C(3) is bonded in a distorted trigonal planar geometry to one C(2), one C(4), and one H(1) atom. The C(3)-C(4) bond length is 1.39 Å. The C(3)-H(1) bond length is 1.09 Å. In the twenty-first C site, C(4) is bonded in a distorted trigonal planar geometry to one C(3), one C(5), and one N(1) atom. The C(4)-C(5) bond length is 1.41 Å. The C(4)-N(1) bond length is 1.47 Å. In the twenty-second C site, C(5) is bonded in a trigonal planar geometry to one C(4), one C(6), and one C(8) atom. The C(5)-C(6) bond length is 1.41 Å. The C(5)-C(8) bond length is 1.49 Å. In the twenty-third C site, C(6) is bonded in a distorted trigonal planar geometry to one C(5), one C(7), and one N(2) atom. The C(6)-C(7) bond length is 1.39 Å. The C(6)-N(2) bond length is 1.47 Å. In the twenty-fourth C site, C(7) is bonded in a distorted single-bond geometry to one C(2), one C(6), and one H(2) atom. The C(7)-H(2) bond length is 1.09 Å. In the twenty-fifth C site, C(8) is bonded in a trigonal planar geometry to one C(13), one C(5), and one C(9) atom. The C(8)-C(9) bond length is 1.41 Å. In the twenty-sixth C site, C(9) is bonded in a trigonal planar geometry to one C(10), one C(8), and one N(3) atom. The C(9)-C(10) bond length is 1.39 Å. The C(9)-N(3) bond length is 1.48 Å. In the twenty-seventh C site, C(10) is bonded in a distorted trigonal planar geometry to one C(11), one C(9), and one H(3) atom. The C(10)-H(3) bond length is 1.09 Å. There are eight inequivalent N sites. In the first N site, N(7) is bonded in a trigonal planar geometry to one C(22), one C(23), and one C(24) atom. In the second N site, N(8) is bonded in a trigonal planar geometry to one C(25), one C(26), and one C(27) atom. In the third N site, N(1) is bonded in a trigonal planar geometry to one C(4), one O(5), and one O(6) atom. The N(1)-O(5) bond length is 1.24 Å. The N(1)-O(6) bond length is 1.24 Å. In the fourth N site, N(5) is bonded in a trigonal planar geometry to one C(18), one O(15), and one O(16) atom. The N(5)-O(15) bond length is 1.24 Å. The N(5)-O(16) bond length is 1.24 Å. In the fifth N site, N(2) is bonded in a trigonal planar geometry to one C(6), one O(7), and one O(8) atom. The N(2)-O(7) bond length is 1.24 Å. The N(2)-O(8) bond length is 1.24 Å. In the sixth N site, N(6) is bonded in a trigonal planar geometry to one C(20), one O(17), and one O(18) atom. The N(6)-O(17) bond length is 1.24 Å. The N(6)-O(18) bond length is 1.24 Å. In the seventh N site, N(3) is bonded in a trigonal planar geometry to one C(9) and two equivalent O(9,10) atoms. Both N(3)-O(9,10) bond lengths are 1.24 Å. In the eighth N site, N(4) is bonded in a trigonal planar geometry to one C(13), one O(11), and one O(12) atom. The N(4)-O(11) bond length is 1.24 Å. The N(4)-O(12) bond length is 1.23 Å. There are twenty inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one C(3) atom. In the second H site, H(2) is bonded in a single-bond geometry to one C(7) atom. In the third H site, H(3) is bonded in a single-bond geometry to one C(10) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one C(12) atom. In the fifth H site, H(5) is bonded in a single-bond geometry to one C(17) atom. In the sixth H site, H(6) is bonded in a single-bond geometry to one C(21) atom. In the seventh H site, H(7) is bonded in a single-bond geometry to one C(22) atom. In the eighth H site, H(8) is bonded in a single-bond geometry to one C(23) atom. In the ninth H site, H(9) is bonded in a single-bond geometry to one C(23) atom. In the tenth H site, H(10) is bonded in a single-bond geometry to one C(23) atom. In the eleventh H site, H(11) is bonded in a single-bond geometry to one C(24) atom. In the twelfth H site, H(12) is bonded in a single-bond geometry to one C(24) atom. In the thirteenth H site, H(13) is bonded in a single-bond geometry to one C(24) atom. In the fourteenth H site, H(14) is bonded in a single-bond geometry to one C(25) atom. In the fifteenth H site, H(15) is bonded in a single-bond geometry to one C(26) atom. In the sixteenth H site, H(16) is bonded in a single-bond geometry to one C(26) atom. In the seventeenth H site, H(17) is bonded in a single-bond geometry to one C(26) atom. In the eighteenth H site, H(18) is bonded in a single-bond geometry to one C(27) atom. In the nineteenth H site, H(19) is bonded in a single-bond geometry to one C(27) atom. In the twentieth H site, H(20) is bonded in a single-bond geometry to one C(27) atom. There are nineteen inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 150 degrees geometry to one Gd(1) and one C(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to one Gd(1) and one C(1) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to one Gd(1) and one C(14) atom. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to one Gd(1) and one C(14) atom. In the fifth O site, O(5) is bonded in a single-bond geometry to one N(1) atom. In the sixth O site, O(6) is bonded in a single-bond geometry to one N(1) atom. In the seventh O site, O(7) is bonded in a single-bond geometry to one N(2) atom. In the eighth O site, O(8) is bonded in a single-bond geometry to one N(2) atom. In the ninth O site, O(9,10) is bonded in a single-bond geometry to one N(3) atom. In the tenth O site, O(11) is bonded in a single-bond geometry to one N(4) atom. In the eleventh O site, O(12) is bonded in a single-bond geometry to one N(4) atom. In the twelfth O site, O(13) is bonded in a 1-coordinate geometry to two equivalent Gd(1) and one C(15) atom. In the thirteenth O site, O(14) is bonded in a distorted water-like geometry to one Gd(1) and one C(15) atom. In the fourteenth O site, O(15) is bonded in a single-bond geometry to one N(5) atom. In the fifteenth O site, O(16) is bonded in a single-bond geometry to one N(5) atom. In the sixteenth O site, O(17) is bonded in a single-bond geometry to one N(6) atom. In the seventeenth O site, O(18) is bonded in a single-bond geometry to one N(6) atom. In the eighteenth O site, O(19) is bonded in a distorted single-bond geometry to one Gd(1) and one C(22) atom. In the nineteenth O site, O(20) is bonded in a distorted bent 120 degrees geometry to one Gd(1) and one C(25) atom. Linkers: 6 [O]C(=O)c1cc([N+](=O)[O-])c(-c2c([N+](=O)[O-])cc(C([O])=O)cc2[N+](=O)[O-])c([N+](=O)[O-])c1. Metal clusters: 4 [Gd]. The MOF has largest included sphere 5.57 A, density 1.49 g/cm3, surface area 4173.27 m2/g, accessible volume 0.26 cm3/g