Information card for entry 2214008

Structure parameters

• Chemical name: Aquabis(chloroacetato-κ<i>O</i>)bis(pyridine-κN)copper(II)
• Formula: C14 H16 Cl2 Cu N2 O5
• Calculated formula: C14 H16 Cl2 Cu N2 O5
• SMILES: [Cu]([OH2])(OC(=O)CCl)(OC(=O)CCl)([n]1ccccc1)[n]1ccccc1
• Title of publication: Aquabis(chloroacetato-κ<i>O</i>)bis(pyridine-κ<i>N</i>)copper(II)
• Authors of publication: Sieroń, Lesław
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 6
• Pages of publication: m1659 - m1661
• a: 16.365 ± 0.0006 Å
• b: 5.803 ± 0.0002 Å
• c: 18.3458 ± 0.0006 Å
• α: 90°
• β: 90.511 ± 0.003°
• γ: 90°
• Cell volume: 1742.16 ± 0.1 ų
• Cell temperature: 295 K
• Ambient diffraction temperature: 295 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.028
• Residual factor for significantly intense reflections: 0.028
• Weighted residual factors for significantly intense reflections: 0.069
• Weighted residual factors for all reflections included in the refinement: 0.069
• Goodness-of-fit parameter for all reflections included in the refinement: 1.12
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes