Information card for entry 2223852

Structure parameters

• Chemical name: Chloridotetrakis(pyridine-4-carbaldehyde-κ<i>N</i>)copper(II) chloride
• Formula: C24 H20 Cl2 Cu N4 O4
• Calculated formula: C24 H20 Cl2 Cu N4 O4
• SMILES: c1cc(cc[n]1[Cu]([n]1ccc(cc1)C=O)([n]1ccc(cc1)C=O)([n]1ccc(cc1)C=O)Cl)C=O.[Cl-]
• Title of publication: Chloridotetrakis(pyridine-4-carbaldehyde-κ<i>N</i>)copper(II) chloride
• Authors of publication: Meng, Xiu-Jin; Zhang, Shu-Hua; Yang, Ge-Ge; Huang, Xue-Ren; Jiang, Yi-Min
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 11
• Pages of publication: m1380
• a: 10.5035 ± 0.0003 Å
• b: 10.5035 ± 0.0003 Å
• c: 11.3751 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1254.94 ± 0.08 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 85
• Hermann-Mauguin space group symbol: P 4/n :2
• Hall space group symbol: -P 4a
• Residual factor for all reflections: 0.0341
• Residual factor for significantly intense reflections: 0.0334
• Weighted residual factors for significantly intense reflections: 0.1119
• Weighted residual factors for all reflections included in the refinement: 0.1135
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes