Information card for entry 4067666

Structure parameters

• Formula: C31 H7 F19 O Os S4
• Calculated formula: C31 H7 F19 O Os S4
• SMILES: [Os]1([S](c2c(S1)c(F)c(F)c(F)c2F)c1c(F)c(F)c(F)c(F)c1F)(Sc1c(F)c(F)c(F)c(F)c1F)(Sc1c(F)c(F)c(F)c(F)c1F)c1ccc(cc1)OC
• 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: 11.282 ± 0.0007 Å
• b: 12.5292 ± 0.0008 Å
• c: 12.6534 ± 0.0007 Å
• α: 80.587 ± 0.005°
• β: 78.904 ± 0.004°
• γ: 75.411 ± 0.006°
• Cell volume: 1686.07 ± 0.18 ų
• Cell temperature: 297 ± 1 K
• Ambient diffraction temperature: 297 ± 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: 0.038
• Residual factor for significantly intense reflections: 0.0295
• Weighted residual factors for significantly intense reflections: 0.0668
• Weighted residual factors for all reflections included in the refinement: 0.0704
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No