Information card for entry 2203144

Structure parameters

• Chemical name: Chlorobis(2-pyridylethanol)copper(II) chloride
• Formula: C14 H18 Cl2 Cu N2 O2
• Calculated formula: C14 H18 Cl2 Cu N2 O2
• SMILES: [Cu]12(Cl)([n]3ccccc3CC[OH]1)[n]1ccccc1CC[OH]2.[Cl-]
• Title of publication: Chlorobis[2-(2-pyridyl)ethanol]copper(II) chloride
• Authors of publication: Hamamci, Sevim; Yilmaz, Veysel T.; Thöne, Carsten
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 2
• Pages of publication: m159 - m161
• a: 8.7868 ± 0.001 Å
• b: 8.1911 ± 0.001 Å
• c: 22.718 ± 0.003 Å
• α: 90°
• β: 100.098 ± 0.003°
• γ: 90°
• Cell volume: 1609.8 ± 0.3 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 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: 0.0292
• Residual factor for significantly intense reflections: 0.0275
• Weighted residual factors for significantly intense reflections: 0.0687
• Weighted residual factors for all reflections included in the refinement: 0.0695
• Goodness-of-fit parameter for all reflections included in the refinement: 1.106
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes