Information card for entry 4326445

Structure parameters

• Common name: [(2-(diphenylphosphine)thiaphenolato)(m-methylphenylethane -1,2-diylbis(thio-2,1-phenylene)diphenylphosphine)ruthenium(II)] hexafluorophosphate
• Formula: C64.5 H52 Cl3 F6 P4 Ru S3
• Calculated formula: C64.5 H52 Cl3 F6 P4 Ru S3
• Title of publication: Metal-Stabilized Thiyl Radicals as Scaffolds for Reversible Alkene Addition via C-S Bond Formation/Cleavage
• Authors of publication: Kagna Ouch; Mark S. Mashuta; Craig A. Grapperhaus
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 9904 - 9914
• a: 10.5855 ± 0.0004 Å
• b: 16.8551 ± 0.0005 Å
• c: 17.7704 ± 0.0004 Å
• α: 90°
• β: 104.576 ± 0.003°
• γ: 90°
• Cell volume: 3068.54 ± 0.17 ų
• Cell temperature: 100.1 K
• Ambient diffraction temperature: 100.1 K
• Number of distinct elements: 7
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0563
• Residual factor for significantly intense reflections: 0.0438
• Weighted residual factors for significantly intense reflections: 0.1042
• Weighted residual factors for all reflections included in the refinement: 0.1136
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No