Information card for entry 2225628

Structure parameters

• Chemical name: Chloridotris(pentafluorobenzenethiolato-κ<i>S</i>)[tris(4- fluorophenyl)phosphine-κ<i>P</i>]osmium(IV)
• Formula: C36 H12 Cl F18 Os P S3
• Calculated formula: C36 H12 Cl F18 Os P S3
• SMILES: [Os](Cl)([P](c1ccc(F)cc1)(c1ccc(F)cc1)c1ccc(F)cc1)(Sc1c(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
• Title of publication: Chloridotris(pentafluorobenzenethiolato-κ<i>S</i>)[tris(4-fluorophenyl)phosphine-κ<i>P</i>]osmium(IV)
• Authors of publication: Arias, Asdrúbal; Meléndez, Lidia; Bernès, Sylvain; Arroyo, Maribel
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 4
• Pages of publication: m477 - m478
• a: 17.983 ± 0.007 Å
• b: 10.446 ± 0.005 Å
• c: 21.521 ± 0.008 Å
• α: 90°
• β: 107.62 ± 0.02°
• γ: 90°
• Cell volume: 3853 ± 3 ų
• Cell temperature: 298 ± 1 K
• Ambient diffraction temperature: 298 ± 1 K
• Cell measurement pressure: 101 ± 2 kPa
• 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: 0.076
• Residual factor for significantly intense reflections: 0.0477
• Weighted residual factors for significantly intense reflections: 0.1047
• Weighted residual factors for all reflections included in the refinement: 0.1349
• Goodness-of-fit parameter for all reflections included in the refinement: 1.325
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes