Information card for entry 2214049

Structure parameters

• Chemical name: (Benzoato-κ^2^O,O')chlorido(2,9-dimethyl-1,10-phenanthroline- κ^2^N,N')copper(II)
• Formula: C21 H17 Cl Cu N2 O2
• Calculated formula: C21 H17 Cl Cu N2 O2
• SMILES: [Cu]12(Cl)(OC(=[O]1)c1ccccc1)[n]1c(ccc3ccc4ccc([n]2c4c13)C)C
• Title of publication: (Benzoato-κ^2^<i>O</i>,<i>O</i>')chlorido(2,9-dimethyl-1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')copper(II)
• Authors of publication: Xuan, Xiao-Peng; Zhao, Pei-Zheng; Zhang, Shu-Xia
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 7
• Pages of publication: m1817 - m1817
• a: 8.0991 ± 0.0008 Å
• b: 15.9385 ± 0.0015 Å
• c: 15.044 ± 0.0014 Å
• α: 90°
• β: 104.61 ± 0.001°
• γ: 90°
• Cell volume: 1879.2 ± 0.3 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 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: 0.0561
• Residual factor for significantly intense reflections: 0.0399
• Weighted residual factors for significantly intense reflections: 0.1052
• Weighted residual factors for all reflections included in the refinement: 0.1177
• 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