Information card for entry 2210311

Structure parameters

• Chemical name: Aquabis(p-chlorobenzoato)(1,10-phenanthroline)copper(II)
• Formula: C26 H18 Cl2 Cu N2 O5
• Calculated formula: C26 H18 Cl2 Cu N2 O5
• SMILES: [Cu]1([n]2cccc3ccc4ccc[n]1c4c23)(OC(=O)c1ccc(Cl)cc1)(OC(=O)c1ccc(Cl)cc1)[OH2]
• Title of publication: Aquabis(<i>p</i>-chlorobenzoato)(1,10-phenanthroline)copper(II)
• Authors of publication: Zhu, Long-Guan; Xiao, Hong-Ping
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 9
• Pages of publication: m2061 - m2063
• a: 7.9427 ± 0.0007 Å
• b: 10.7301 ± 0.0009 Å
• c: 14.8175 ± 0.0012 Å
• α: 100.404 ± 0.001°
• β: 95.328 ± 0.001°
• γ: 108.582 ± 0.001°
• Cell volume: 1161.9 ± 0.17 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.0439
• Residual factor for significantly intense reflections: 0.0401
• Weighted residual factors for significantly intense reflections: 0.1025
• Weighted residual factors for all reflections included in the refinement: 0.1055
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes