Information card for entry 2007252

Structure parameters

• Chemical name: Diaquachlorobis(pyridinioacetato)copper(II) perchlorate
• Formula: C14 H18 Cl2 Cu N2 O10
• Calculated formula: C14 H18 Cl2 Cu N2 O10
• SMILES: [n+]1(CC(=O)O[Cu]([OH2])([OH2])(Cl)OC(=O)C[n+]2ccccc2)ccccc1.[O-]Cl(=O)(=O)=O
• Title of publication: Diaquachlorobis(4-pyridinioacetate-<i>O</i>)copper(II) Perchlorate
• Authors of publication: Wu, Yu-Luan; Tong, Ye-Xiang; Chen, Xiao-Ming; Mak, Thomas C. W.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1998
• Journal volume: 54
• Journal issue: 5
• Pages of publication: 606 - 608
• a: 13.186 ± 0.006 Å
• b: 5.279 ± 0.001 Å
• c: 27.288 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1899.5 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0442
• Residual factor for significantly intense reflections: 0.0346
• Weighted residual factors for all reflections: 0.0827
• Weighted residual factors for significantly intense reflections: 0.0773
• Goodness-of-fit parameter for all reflections: 1.077
• Goodness-of-fit parameter for significantly intense reflections: 1.092
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No