Information card for entry 4504985

Structure parameters

• Formula: C12 H16 Ce2 O20
• Calculated formula: C6 H6 Ce O10
• Title of publication: Reactive Microporous Rare-Earth Coordination Polymers that Exhibit Single-Crystal-to-Single-Crystal Dehydration and Rehydration
• Authors of publication: Michaelides, Adonis; Skoulika, Stavroula
• Journal of publication: Crystal Growth & Design
• Year of publication: 2005
• Journal volume: 5
• Journal issue: 2
• Pages of publication: 529
• a: 8.304 ± 0.001 Å
• b: 8.728 ± 0.001 Å
• c: 9.177 ± 0.001 Å
• α: 95.59 ± 0.01°
• β: 115.7 ± 0.01°
• γ: 110.26 ± 0.01°
• Cell volume: 537.59 ± 0.14 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0279
• Residual factor for significantly intense reflections: 0.0254
• Weighted residual factors for significantly intense reflections: 0.0636
• Weighted residual factors for all reflections included in the refinement: 0.066
• Goodness-of-fit parameter for all reflections included in the refinement: 0.924
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No