Information card for entry 4303803

Structure parameters

• Formula: C28 H39 Ce N4 Nd O29
• Calculated formula: C28 H39 Ce N4 Nd O29
• SMILES: [Ce]123456([n]7c(cccc7C(=O)O2)C(=O)O1)([n]1c(cccc1C(=O)O4)C(=O)O3)[n]1c(cccc1C(=O)O6)C(=O)O5.[Nd]12([n]3c(cccc3C(=[O]2)O)C(=O)O1)([OH2])([OH2])([OH2])([OH2])([OH2])[OH2].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: 12.101 ± 0.003 Å
• b: 12.923 ± 0.004 Å
• c: 14.729 ± 0.004 Å
• α: 109.869 ± 0.004°
• β: 105.466 ± 0.004°
• γ: 99.961 ± 0.004°
• Cell volume: 1997.5 ± 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: 0.0377
• Residual factor for significantly intense reflections: 0.032
• Weighted residual factors for significantly intense reflections: 0.0813
• Weighted residual factors for all reflections included in the refinement: 0.0844
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No