Information card for entry 2206629

Structure parameters

• Chemical name: Aqua(1,10-phenanthroline)bis(trichloroacetato)copper(II)
• Formula: C16 H10 Cl6 Cu N2 O5
• Calculated formula: C16 H10 Cl6 Cu N2 O5
• SMILES: [Cu]12(OC(=O)C(Cl)(Cl)Cl)(OC(=[O]1)C(Cl)(Cl)Cl)([OH2])[n]1cccc3ccc4ccc[n]2c4c13
• Title of publication: Aqua(1,10-phenanthroline)bis(trichloroacetato)copper(II)
• Authors of publication: Ping Yin; Mao-Lin Hu; Qian Miao
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 9
• Pages of publication: m1854 - m1856
• a: 11.841 ± 0.0007 Å
• b: 12.594 ± 0.0008 Å
• c: 17.8365 ± 0.0008 Å
• α: 90°
• β: 123.817 ± 0.003°
• γ: 90°
• Cell volume: 2209.9 ± 0.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• 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: 0.0914
• Residual factor for significantly intense reflections: 0.0833
• Weighted residual factors for significantly intense reflections: 0.1633
• Weighted residual factors for all reflections included in the refinement: 0.1674
• Goodness-of-fit parameter for all reflections included in the refinement: 1.307
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes