Information card for entry 4504898

Structure parameters

• Formula: C7 H5 Cd2 N O6
• Calculated formula: C7 H5 Cd2 N O6
• Title of publication: Supramolecular Isomerism in Cadmium Hydroxide Phases. Temperature-Dependent Synthesis and Structure of Photoluminescent Coordination Polymers of α- and β-Cd2(OH)2(2,4-pyda)
• Authors of publication: Tong, Ming-Liang; Hu, Sheng; Wang, Jing; Kitagawa, Susumu; Ng, Seik Weng
• Journal of publication: Crystal Growth & Design
• Year of publication: 2005
• Journal volume: 5
• Journal issue: 3
• Pages of publication: 837
• a: 10.523 ± 0.006 Å
• b: 11.065 ± 0.008 Å
• c: 8.061 ± 0.004 Å
• α: 90°
• β: 94.643 ± 0.012°
• γ: 90°
• Cell volume: 935.5 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0245
• Residual factor for significantly intense reflections: 0.0211
• Weighted residual factors for significantly intense reflections: 0.0612
• Weighted residual factors for all reflections included in the refinement: 0.0725
• Goodness-of-fit parameter for all reflections included in the refinement: 1.261
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No