Information card for entry 2220469

Structure parameters

• Chemical name: Aquabis(dichloroacetato-κO)(1,10-phenanthroline- κ^2^<i>N</i>,<i>N</i>')copper(II)
• Formula: C16 H12 Cl4 Cu N2 O5
• Calculated formula: C16 H12 Cl4 Cu N2 O5
• SMILES: [Cu]1(OC(=O)C(Cl)Cl)([OH2])([n]2cccc3ccc4c([n]1ccc4)c23)OC(=O)C(Cl)Cl
• Title of publication: Aquabis(dichloroacetato-κ<i>O</i>)(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')copper(II)
• Authors of publication: Liu, Yaru; Ning, Jianzhong; Sun, Junshan; Zhang, Chuan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 1
• Pages of publication: m113
• a: 8.2701 ± 0.0008 Å
• b: 10.8883 ± 0.0011 Å
• c: 12.0125 ± 0.0012 Å
• α: 67.439 ± 0.001°
• β: 77.585 ± 0.002°
• γ: 73.776 ± 0.002°
• Cell volume: 952.02 ± 0.16 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 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: 0.0562
• Residual factor for significantly intense reflections: 0.0424
• Weighted residual factors for significantly intense reflections: 0.0998
• Weighted residual factors for all reflections included in the refinement: 0.1063
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes