Information card for entry 2210025

Structure parameters

• Chemical name: Bis(5,5-diphenylhydantoinato-κN^3^)bis(1H-imidazole-κN^3^)copper(II) monohydrate
• Formula: C36 H32 Cu N8 O5
• Calculated formula: C36 H32 Cu N8 O5
• SMILES: [Cu](N1C(=O)C(NC1=O)(c1ccccc1)c1ccccc1)(N1C(=O)C(NC1=O)(c1ccccc1)c1ccccc1)([n]1c[nH]cc1)[n]1c[nH]cc1.O
• Title of publication: Bis(5,5-diphenylhydantoinato-κ<i>N</i>^3^)bis(1<i>H</i>-imidazole-κ<i>N</i>^3^)copper(II) monohydrate
• Authors of publication: Xing-You Xu; Tong-Tao Xu; He-Ping Ma; Xi-Lan Hu; Da-Qi Wang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 8
• Pages of publication: m1956 - m1957
• a: 8.615 ± 0.002 Å
• b: 16.576 ± 0.003 Å
• c: 24.68 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3524.4 ± 1.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.101
• Residual factor for significantly intense reflections: 0.0486
• Weighted residual factors for significantly intense reflections: 0.1038
• Weighted residual factors for all reflections included in the refinement: 0.1339
• Goodness-of-fit parameter for all reflections included in the refinement: 0.971
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes