Information card for entry 4307490

Structure parameters

• Formula: C36 H18 F11 O Os P S3
• Calculated formula: C36 H18 F11 O Os P S3
• SMILES: [Os]1([P](c2ccccc2)(c2ccccc2)c2ccccc2)(Sc2c(O1)c(F)cc(F)c2F)(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: 10.3807 ± 0.0011 Å
• b: 22.029 ± 0.003 Å
• c: 15.8319 ± 0.0017 Å
• α: 90°
• β: 100.694 ± 0.009°
• γ: 90°
• Cell volume: 3557.5 ± 0.7 ų
• Cell temperature: 296 ± 1 K
• Ambient diffraction temperature: 296 ± 1 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: 0.0594
• Residual factor for significantly intense reflections: 0.0337
• Weighted residual factors for significantly intense reflections: 0.06
• Weighted residual factors for all reflections included in the refinement: 0.0674
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No