Information card for entry 4504896

Structure parameters

• Formula: C7 H7 Cd N O6
• Calculated formula: C7 H7 Cd 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: 12.137 ± 0.007 Å
• b: 7.742 ± 0.005 Å
• c: 18.618 ± 0.009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1749.4 ± 1.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0465
• Residual factor for significantly intense reflections: 0.0391
• Weighted residual factors for significantly intense reflections: 0.0906
• Weighted residual factors for all reflections included in the refinement: 0.0939
• Goodness-of-fit parameter for all reflections included in the refinement: 1.133
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No