Information card for entry 4067667

Structure parameters

• Formula: C39 H21 F14 Os P S4
• Calculated formula: C39 H21 F14 Os P S4
• SMILES: [Os]1([P](c2ccc(C)cc2)(c2ccc(C)cc2)c2ccc(C)cc2)(Sc2c(S1)c(F)c(F)c(F)c2F)(Sc1c(F)c(F)c(F)c(F)c1F)Sc1c(F)c(F)c(F)c(F)c1F
• Title of publication: Carbon−Fluorine Bond Activation in Thermolysis Reactions of the Osmium(IV) Perfluorothiolate Compounds [Os(SC6F5)4(P(C6H4X-4)3)] (X = CF3, Cl, F, H, CH3, and OCH3)
• Authors of publication: Mendoza, Consuelo; Bernès, Sylvain; Torrens, Hugo; Arroyo, Maribel
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 12
• Pages of publication: 2646
• a: 10.648 ± 0.002 Å
• b: 14.992 ± 0.002 Å
• c: 15.431 ± 0.003 Å
• α: 69.348 ± 0.01°
• β: 85.7 ± 0.013°
• γ: 74.435 ± 0.012°
• Cell volume: 2220 ± 0.7 ų
• Cell temperature: 293 ± 1 K
• Ambient diffraction temperature: 296 ± 1 K
• Cell measurement pressure: 101 ± 2 kPa
• Ambient diffracton pressure: 101 ± 2 kPa
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0761
• Residual factor for significantly intense reflections: 0.0471
• Weighted residual factors for significantly intense reflections: 0.1025
• Weighted residual factors for all reflections included in the refinement: 0.1143
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No