Information card for entry 4307492

Structure parameters

• Formula: C30 H5 F19 Os S5
• Calculated formula: C30 H5 F19 Os S5
• SMILES: [Os]1([S](c2c(F)c(F)cc(F)c2F)c2c(F)cc(F)c(F)c2S1)(Sc1c(F)c(F)cc(F)c1F)(Sc1c(F)c(F)cc(F)c1F)Sc1c(F)c(F)cc(F)c1F
• Title of publication: Carbon-Fluorine Bond Cleavage in the Preparation of Osmium(III) and Osmium(IV) Fluorothiolate Complexes. Fluorine by Fluorine NMR-Assignment and Fluxional Processes
• Authors of publication: Maribel Arroyo; Sylvain Bernès; Margarita Cerón; Verónica Cortina; Consuelo Mendoza; Hugo Torrens
• Journal of publication: Inorganic Chemistry
• Year of publication: 2007
• Journal volume: 46
• Pages of publication: 4857 - 4867
• a: 18.3106 ± 0.0017 Å
• b: 9.2362 ± 0.0011 Å
• c: 20.0791 ± 0.0019 Å
• α: 90°
• β: 97.707 ± 0.008°
• γ: 90°
• Cell volume: 3365.1 ± 0.6 ų
• Cell temperature: 296 ± 1 K
• Ambient diffraction temperature: 296 ± 1 K
• Number of distinct elements: 5
• 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: 0.092
• Residual factor for significantly intense reflections: 0.0566
• Weighted residual factors for significantly intense reflections: 0.1328
• Weighted residual factors for all reflections included in the refinement: 0.151
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No