Information card for entry 2007363

Structure parameters

• Chemical name: Bis(di-2-pyridylmethandiol)copper(II) diperchlorate
• Formula: C22 H20 Cl2 Cu N4 O12
• Calculated formula: C22 H20 Cl2 Cu N4 O12
• SMILES: [O-]Cl(=O)(=O)=O.[Cu]1234([n]5ccccc5C([OH]3)(O)c3cccc[n]13)[n]1ccccc1C([OH]4)(O)c1cccc[n]21.[O-]Cl(=O)(=O)=O
• Title of publication: Bis(di-2-pyridylmethanediol-<i>N</i>,<i>O</i>,<i>N</i>')copper(II) Diperchlorate
• Authors of publication: Yang, Guang; Tong, Ming-Liang; Chen, Xiao-Ming; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1998
• Journal volume: 54
• Journal issue: 6
• Pages of publication: 732 - 734
• a: 7.8466 ± 0.0003 Å
• b: 13.6602 ± 0.0004 Å
• c: 12.2522 ± 0.0005 Å
• α: 90°
• β: 100.83 ± 0.004°
• γ: 90°
• Cell volume: 1289.88 ± 0.08 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.057
• Residual factor for significantly intense reflections: 0.044
• Weighted residual factors for all reflections: 0.131
• Weighted residual factors for significantly intense reflections: 0.12
• Goodness-of-fit parameter for all reflections: 1.026
• Goodness-of-fit parameter for significantly intense reflections: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No