Information card for entry 2228064

Structure parameters

• Chemical name: Diaquabis(perchlorato)(1,10-phenanthroline)copper(II)
• Formula: C12 H12 Cl2 Cu N2 O10
• Calculated formula: C12 H12 Cl2 Cu N2 O10
• SMILES: c1ccc2c3c4c(ccc[n]4[Cu]([n]13)([OH2])([OH2])(OCl(=O)(=O)=O)OCl(=O)(=O)=O)cc2
• Title of publication: Diaquabis(perchlorato)(1,10-phenanthroline)copper(II)
• Authors of publication: Kaabi, Kamel; El Glaoui, Meher; Zeller, Matthias; Ben Nasr, Cherif
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 9
• Pages of publication: m1145 - m1146
• a: 7.7882 ± 0.001 Å
• b: 10.4226 ± 0.0014 Å
• c: 10.8065 ± 0.0014 Å
• α: 76.567 ± 0.001°
• β: 75.227 ± 0.002°
• γ: 79.801 ± 0.002°
• Cell volume: 818.5 ± 0.19 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0249
• Residual factor for significantly intense reflections: 0.0235
• Weighted residual factors for significantly intense reflections: 0.0683
• Weighted residual factors for all reflections included in the refinement: 0.0743
• Goodness-of-fit parameter for all reflections included in the refinement: 1.128
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes