Information card for entry 2225396

Structure parameters

• Chemical name: Bis[<i>N</i>-benzyl-2-(quinolin-8-yloxy)acetamide]dichloridocopper(II) acetonitrile solvate monohydrate
• Formula: C38 H37 Cl2 Cu N5 O5
• Calculated formula: C38 H37 Cl2 Cu N5 O5
• SMILES: [Cu]1([O](c2cccc3ccc[n]1c23)CC(=O)NCc1ccccc1)([n]1cccc2cccc(OCC(=O)NCc3ccccc3)c12)(Cl)Cl.C(#N)C.O
• Title of publication: Bis[<i>N</i>-benzyl-2-(quinolin-8-yloxy)acetamide]dichloridocopper(II) acetonitrile solvate monohydrate
• Authors of publication: Wang, Yuan; Wu, Wei-Na; Zhao, Rui-Qi; Zhang, Ai-Yun; Qin, Bao-Feng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 3
• Pages of publication: m292
• a: 10.202 ± 0.003 Å
• b: 13.253 ± 0.004 Å
• c: 14.009 ± 0.004 Å
• α: 78.927 ± 0.003°
• β: 78.995 ± 0.003°
• γ: 86.366 ± 0.003°
• Cell volume: 1824 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1132
• Residual factor for significantly intense reflections: 0.0611
• Weighted residual factors for significantly intense reflections: 0.1572
• Weighted residual factors for all reflections included in the refinement: 0.1859
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes