Information card for entry 4066884

Structure parameters

• Formula: C22 H37 Cl Ru S Si2
• Calculated formula: C22 H37 Cl Ru S Si2
• SMILES: [Ru]123456789([c]%10([c]7([c]5([c]4([c]9%10C)C)C)C)C)[c]4([cH]2[cH]8[cH]6[c]1([c]34S)[Si](C)(C)C)[Si](C)(C)C.[Cl-]
• Title of publication: Preparation and Reactivity of a Ruthenium Complex Bearing a 2,6-Bis(trimethylsilyl)benzenethiolate Ligand
• Authors of publication: Yuki, Masahiro; Miyake, Yoshihiro; Nishibayashi, Yoshiaki
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 18
• Pages of publication: 4148
• a: 11.6073 ± 0.0008 Å
• b: 14.0285 ± 0.0009 Å
• c: 16.6412 ± 0.0011 Å
• α: 67.495 ± 0.002°
• β: 87.09 ± 0.002°
• γ: 89.219 ± 0.002°
• Cell volume: 2500.1 ± 0.3 ų
• Cell temperature: 173 ± 1 K
• Ambient diffraction temperature: 173 ± 1 K
• 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: 0.0481
• Residual factor for significantly intense reflections: 0.0311
• Weighted residual factors for significantly intense reflections: 0.0715
• Weighted residual factors for all reflections included in the refinement: 0.0811
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No