Information card for entry 2207518

Structure parameters

• Chemical name: Aqua(1,10-phenanthroline)[1,1,1-trifluoro-3-(2-thenoyl)acetonato]copper(II) (1,10-phenanthroline)(5-sulfonatosalicylato)[1,1,1-trifluoro- 3-(2-thenoyl)acetonato]copper(II)
• Formula: C47 H30 Cu2 F6 N4 O11 S3
• Calculated formula: C47 H30 Cu2 F6 N4 O11 S3
• Title of publication: Aqua(1,10-phenanthroline)[1,1,1-trifluoro-3-(2-thenoyl)acetonato]copper(II) (1,10-phenanthroline)(5-sulfonatosalicylato)[1,1,1-trifluoro-3-(2-thenoyl)acetonato]cuprate(II)
• Authors of publication: Fan, Sai-Rong; Zhu, Long-Guan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 12
• Pages of publication: m2480 - m2482
• a: 10.1963 ± 0.0005 Å
• b: 14.0035 ± 0.0007 Å
• c: 32.1357 ± 0.0017 Å
• α: 90°
• β: 98.508 ± 0.001°
• γ: 90°
• Cell volume: 4538 ± 0.4 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.073
• Residual factor for significantly intense reflections: 0.0568
• Weighted residual factors for significantly intense reflections: 0.1169
• Weighted residual factors for all reflections included in the refinement: 0.1244
• Goodness-of-fit parameter for all reflections included in the refinement: 1.129
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes