Information card for entry 4303809

Structure parameters

• Formula: C98 H134 Ce4 La4 N14 O102
• Calculated formula: C98 H134 Ce4 La4 N14 O102
• SMILES: c12cccc3C(=O)O[Ce]4567([n]23)([n]2c(cccc2C(=O)O5)C(=O)O4)([n]2c(C(=[O]7)O[La]345([n]7c(cccc7C(=O)O5)C(=[O]4)O[La]([O]=C4c5cccc7C(O[Ce]89%10%11([n]%12c(cccc%12C(=O)O9)C(=O)O8)([n]8c(cccc8C(=O)O%11)C(=O)O%10)([n]57)O4)=[O][La]45([n]7c(cccc7C(O5)=[O][La]([O]=C5c7cccc8C(O[Ce]9%10%11%12([n]%13c(C(=O)O9)cccc%13C(=O)O%10)([n]78)(O5)[n]5c(cccc5C(=O)O%12)C(=O)O%11)=[O]3)([OH2])([OH2])([OH2])([OH2])([OH2])([OH2])[OH2])C(=O)O4)([O]=C3c4cccc5C(=O)O[Ce]789%10([n]%11c(cccc%11C(=O)O8)C(=O)O7)([n]7c(cccc7C(=O)O%10)C(=O)O9)([n]45)O3)([OH2])([OH2])([OH2])[OH2])([OH2])([OH2])([OH2])([OH2])([OH2])([OH2])[OH2])([OH2])([OH2])([OH2])[OH2])cccc2C(=O)O6)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
• 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: 14.8714 ± 0.0009 Å
• b: 15.1654 ± 0.0009 Å
• c: 17.5244 ± 0.0011 Å
• α: 106.635 ± 0.001°
• β: 100.606 ± 0.001°
• γ: 100.795 ± 0.001°
• Cell volume: 3599.3 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0491
• Residual factor for significantly intense reflections: 0.0385
• Weighted residual factors for significantly intense reflections: 0.0862
• Weighted residual factors for all reflections included in the refinement: 0.0909
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No