Information card for entry 8107511

Structure parameters

• Formula: C23 H17 Cu N3 O5
• Calculated formula: C23 H17 Cu N3 O5
• Title of publication: The crystal structure of [(2,2′-bipyridine-6-carboxylato-κ3 N,N,O)-(6-phenylpyridine-2-carboxylate-κ2 N,O)copper(II)] monohydrate, C23H17N3O5Cu
• Authors of publication: Zeng-Bing, Zhao; Xue-Ping, Li; Shu-Cheng, Yang; Bing-Qi, Yang; Ze-Tao, Wang; Lan-Xing, Cheng; Xi-Shi, Tai
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2023
• Journal volume: 238
• Journal issue: 4
• Pages of publication: 615 - 617
• a: 11.4951 ± 0.0001 Å
• b: 8.6966 ± 0.0001 Å
• c: 21.1454 ± 0.0002 Å
• α: 90°
• β: 105.433 ± 0.001°
• γ: 90°
• Cell volume: 2037.65 ± 0.04 ų
• Cell temperature: 294.1 ± 0.1 K
• Ambient diffraction temperature: 294.1 ± 0.1 K
• Number of distinct elements: 5
• 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: 0.0309
• Residual factor for significantly intense reflections: 0.0298
• Weighted residual factors for significantly intense reflections: 0.0852
• Weighted residual factors for all reflections included in the refinement: 0.0862
• Goodness-of-fit parameter for all reflections included in the refinement: 0.994
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No