Information card for entry 4303814

Structure parameters

• Formula: C84 H110 Ce4 N12 O84 Sm2
• Calculated formula: C84 H108 Ce4 N12 O84 Sm2
• SMILES: c12cccc3C4=[O][Ce]5678([n]23)([n]2c(cccc2C(=O)O6)C(=O)O5)([n]2c(C(=[O][Sm]([O]=C3c5cccc6C(=O)O[Ce]9%10%11%12([n]56)([n]5c(cccc5C(=O)O%10)C(=O)O9)([n]5c(cccc5C(=O)O%12)C(=[O][Sm](O4)([O]=C4c5cccc6C(=O)O[Ce]9%10%12%13([n]56)([n]5c(cccc5C(=O)O%10)C(=O)O9)([n]5c(cccc5C(=O)O%13)C(=O)O%12)O4)([OH2])([OH2])([OH2])([OH2])[OH2])O%11)O3)([O]=C3c4cccc5C(=O)O[Ce]69%10%11([n]45)([n]4c(cccc4C(=O)O9)C(=O)O6)([n]4c(cccc4C(=O)O%11)C(=O)O%10)O3)([OH2])([OH2])([OH2])([OH2])[OH2])O7)cccc2C(=O)O8)OC1=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.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 ± 0.004 Å
• b: 16.024 ± 0.005 Å
• c: 17.302 ± 0.005 Å
• α: 114.262 ± 0.004°
• β: 114.351 ± 0.004°
• γ: 91.945 ± 0.005°
• Cell volume: 3187.1 ± 1.6 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: 0.0579
• Residual factor for significantly intense reflections: 0.0479
• Weighted residual factors for significantly intense reflections: 0.1273
• Weighted residual factors for all reflections included in the refinement: 0.1335
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No