Information card for entry 2226030

Structure parameters

• Chemical name: (Benzoato-κ<i>O</i>)bis(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')copper(II) chloride benzoic acid disolvate
• Formula: C45 H33 Cl Cu N4 O6
• Calculated formula: C45 H33 Cl Cu N4 O6
• Title of publication: (Benzoato-κ<i>O</i>)bis(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')copper(II) chloride benzoic acid disolvate
• Authors of publication: Huang, Wen-Xiang; Liu, Bin-Bin; Lin, Jian-Li
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 5
• Pages of publication: m488 - m489
• a: 16.724 ± 0.003 Å
• b: 19.288 ± 0.004 Å
• c: 13.295 ± 0.003 Å
• α: 90°
• β: 113.86 ± 0.03°
• γ: 90°
• Cell volume: 3922.1 ± 1.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0562
• Residual factor for significantly intense reflections: 0.0378
• Weighted residual factors for significantly intense reflections: 0.0833
• Weighted residual factors for all reflections included in the refinement: 0.1013
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes