Information card for entry 2216889

Structure parameters

• Chemical name: Chlorido(1,10-phenanthroline)[1,1,1-trifluoro-3-(2-thenoyl)acetonato]copper(II)
• Formula: C20 H12 Cl Cu F3 N2 O2 S
• Calculated formula: C20 H12 Cl Cu F3 N2 O2 S
• SMILES: [Cu]12([n]3cccc4ccc5ccc[n]1c5c34)(OC(=CC(=[O]2)C(F)(F)F)c1cccs1)Cl
• Title of publication: Chlorido(1,10-phenanthroline)[1,1,1-trifluoro-3-(2-thenoyl)acetonato]copper(II)
• Authors of publication: Shuangzhuan Gao; Jine Zhang; Yanping Li; Zhigang Zhang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 1
• Pages of publication: m105 - m105
• a: 12.461 ± 0.009 Å
• b: 13.238 ± 0.009 Å
• c: 12.932 ± 0.008 Å
• α: 90°
• β: 115.689 ± 0.01°
• γ: 90°
• Cell volume: 1922 ± 2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 8
• 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: 0.112
• Residual factor for significantly intense reflections: 0.0618
• Weighted residual factors for significantly intense reflections: 0.1255
• Weighted residual factors for all reflections included in the refinement: 0.1418
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes