Information card for entry 4307493

Structure parameters

• Formula: C34 H22 F13 O Os P2 S3
• Calculated formula: C34 H22 F13 O Os P2 S3
• SMILES: [Os]12([P](C)(C)c3ccccc3)([P](C)(C)c3ccccc3)(Sc3c(F)c(F)c(F)c(F)c3[S]1c1c(O2)c(F)c(F)c(F)c1F)Sc1c(F)c(F)c(F)c(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: 8.416 ± 0.002 Å
• b: 19.096 ± 0.004 Å
• c: 22.572 ± 0.004 Å
• α: 90°
• β: 96.036 ± 0.015°
• γ: 90°
• Cell volume: 3607.5 ± 1.3 ų
• Cell temperature: 294 ± 1 K
• Ambient diffraction temperature: 294 ± 1 K
• Number of distinct elements: 7
• 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: 0.0687
• Residual factor for significantly intense reflections: 0.037
• Weighted residual factors for significantly intense reflections: 0.0663
• Weighted residual factors for all reflections included in the refinement: 0.0752
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No