Information card for entry 4511423

Structure parameters

• Formula: C48 H48 Ce2 N10 O17
• Calculated formula: C48 H48 Ce2 N10 O17
• Title of publication: Assembly of Cerium(III) 2,2′-Bipyridine-5,5′-dicarboxylate-based Metal‒Organic Frameworks by Solvent Tuning
• Authors of publication: Ayhan, Ozan; Malaestean, Iurie L.; Ellern, Arkady; van Leusen, Jan; Baca, Svetlana G.; Kögerler, Paul
• Journal of publication: Crystal Growth & Design
• Year of publication: 2014
• Journal volume: 14
• Journal issue: 7
• Pages of publication: 3541
• a: 27.541 ± 0.006 Å
• b: 11.126 ± 0.002 Å
• c: 16.991 ± 0.003 Å
• α: 90°
• β: 99.01 ± 0.03°
• γ: 90°
• Cell volume: 5142.2 ± 1.8 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1056
• Residual factor for significantly intense reflections: 0.0922
• Weighted residual factors for significantly intense reflections: 0.2025
• Weighted residual factors for all reflections included in the refinement: 0.2097
• Goodness-of-fit parameter for all reflections included in the refinement: 1.165
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No