Information card for entry 4303808

Structure parameters

• Formula: C84 H110 Ce4 Gd2 N12 O84
• Calculated formula: C84 H108 Ce4 Gd2 N12 O84
• SMILES: [Gd]1([O]=C2c3cccc4C(=O)O[Ce]5678([n]34)([n]3c(cccc3C(=O)O6)C(=O)O5)(O2)OC(=O)c2cccc(C(=O)O8)[n]72)([O]=C2c3cccc4C(=O)O[Ce]5678(O2)([n]2c(cccc2C(=O)O6)C(=O)O5)([n]34)[n]2c(cccc2C(=O)O8)C(=[O][Gd]([O]=C2c3cccc4C(=O)O[Ce]5689([n]34)([n]3c(cccc3C(=O)O6)C(=O)O5)([n]3c(cccc3C(=O)O9)C(=O)O8)O2)([O]=C2c3cccc4C(=O)O[Ce]5689([n]%10c(cccc%10C(=O)O6)C(=O)O5)([n]34)([n]3c(cccc3C(=O)O9)C(=[O]1)O8)O2)([OH2])([OH2])([OH2])([OH2])[OH2])O7)([OH2])([OH2])([OH2])([OH2])[OH2].O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O
• Title of publication: Cerium(IV)-Lanthanide(III)-Pyridine-2,6-dicarboxylic Acid System: Coordination Salts, Chains, and Rings
• Authors of publication: T. K. Prasad; M. V. Rajasekharan
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 11543 - 11550
• a: 14.275 ± 0.002 Å
• b: 15.93 ± 0.003 Å
• c: 17.277 ± 0.004 Å
• α: 63.997 ± 0.004°
• β: 65.608 ± 0.002°
• γ: 87.73 ± 0.003°
• Cell volume: 3167.5 ± 1.1 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0682
• Residual factor for significantly intense reflections: 0.0481
• Weighted residual factors for significantly intense reflections: 0.1147
• Weighted residual factors for all reflections included in the refinement: 0.1219
• Goodness-of-fit parameter for all reflections included in the refinement: 0.951
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No