Information card for entry 4503166

Structure parameters

• Formula: C14 H8 Ca O5
• Calculated formula: C14 H8 Ca O5
• Title of publication: Hydrothermal Crystallization of Three Calcium-Based Hybrid Solids with 2,6-Naphthalene- or 4,4′-Biphenyl-Dicarboxylates
• Authors of publication: Volkringer, Christophe; Marrot, Jérôme; Férey, Gérard; Loiseau, Thierry
• Journal of publication: Crystal Growth & Design
• Year of publication: 2008
• Journal volume: 8
• Journal issue: 2
• Pages of publication: 685
• a: 5.8237 ± 0.0004 Å
• b: 6.9339 ± 0.0005 Å
• c: 14.7231 ± 0.0011 Å
• α: 90°
• β: 93.588 ± 0.003°
• γ: 90°
• Cell volume: 593.37 ± 0.07 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0683
• Residual factor for significantly intense reflections: 0.0416
• Weighted residual factors for significantly intense reflections: 0.0938
• Weighted residual factors for all reflections included in the refinement: 0.1237
• Goodness-of-fit parameter for all reflections included in the refinement: 1.12
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No