Information card for entry 8107169

Structure parameters

• Formula: C20 H20 Cd N2 O7
• Calculated formula: C20 H20 Cd N2 O7
• Title of publication: The crystal structure of catena-poly[aqua-2,2′bipyridine-κ2 N,N′-(μ2-5-ethoxyisophthalato-κ 4 O,O′:Oʺ,O′ʺ)cadmium(II)] monohydrate, C20H20CdN2O7
• Authors of publication: Zhang, Lilei; Chang, Deming; Dun, Mengdan
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2022
• Journal volume: 237
• Journal issue: 4
• Pages of publication: 615 - 617
• a: 9.0154 ± 0.0003 Å
• b: 17.7168 ± 0.0008 Å
• c: 12.8449 ± 0.0005 Å
• α: 90°
• β: 98.537 ± 0.004°
• γ: 90°
• Cell volume: 2028.91 ± 0.14 ų
• Cell temperature: 288.32 ± 0.1 K
• Ambient diffraction temperature: 288.32 ± 0.1 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: 0.0379
• Residual factor for significantly intense reflections: 0.032
• Weighted residual factors for significantly intense reflections: 0.0682
• Weighted residual factors for all reflections included in the refinement: 0.0715
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No