Information card for entry 4504661

Structure parameters

• Chemical name: Triaquabis{pyridine-2,6-dicarboxylato}cerium(IV)tertahydrate
• Formula: C14 H20 Ce N2 O15
• Calculated formula: C14 H20 Ce N2 O15
• Title of publication: A Novel Water Octamer in Ce(dipic)2(H2O)3·4H2O: Crystallographic, Thermal, and Theoretical Studies
• Authors of publication: Prasad, T. K.; Rajasekharan, M. V.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2006
• Journal volume: 6
• Journal issue: 2
• Pages of publication: 488
• a: 10.0048 ± 0.0008 Å
• b: 10.4951 ± 0.0008 Å
• c: 10.6453 ± 0.0008 Å
• α: 93.816 ± 0.001°
• β: 107.843 ± 0.001°
• γ: 93.688 ± 0.001°
• Cell volume: 1057.42 ± 0.14 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0175
• Residual factor for significantly intense reflections: 0.0173
• Weighted residual factors for significantly intense reflections: 0.048
• Weighted residual factors for all reflections included in the refinement: 0.0481
• Goodness-of-fit parameter for all reflections included in the refinement: 1.241
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No