Information card for entry 8107358

Structure parameters

• Formula: C20 H13 Cd Cl N2 O5
• Calculated formula: C20 H13 Cd Cl N2 O5
• Title of publication: The crystal structure of poly[(1,10-phenanthroline-κ2 N,N′)-(μ 4-2-chlorobenzene-1,3-dicarboxylato-κ5 O:O′:O″:O‴) cadmium(II)] monohydrate, C20H13CdClN2O5
• Authors of publication: Huang, Guang
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2023
• Journal volume: 238
• Journal issue: 1
• Pages of publication: 79 - 81
• a: 11.4994 ± 0.0009 Å
• b: 13.1171 ± 0.001 Å
• c: 13.0233 ± 0.001 Å
• α: 90°
• β: 109.126 ± 0.008°
• γ: 90°
• Cell volume: 1856 ± 0.3 ų
• Cell temperature: 292.98 ± 0.1 K
• Ambient diffraction temperature: 292.98 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0447
• Residual factor for significantly intense reflections: 0.0341
• Weighted residual factors for significantly intense reflections: 0.0712
• Weighted residual factors for all reflections included in the refinement: 0.0779
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No