Information card for entry 4066885

Structure parameters

• Formula: C32 H51 Cl Ru2 S Si2
• Calculated formula: C32 H36 Cl Ru2 S Si2
• SMILES: [c]12([c]3([cH]4[cH]5[cH]6[c]1([Si](C)(C)C)[Ru]178923456[c]2([c]9([c]8([c]7([c]12C)C)C)C)C)[Si](C)(C)C)S[Ru]1234([c]5([c]1([c]2([c]3([c]45C)C)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: 14.9562 ± 0.0005 Å
• b: 26.9734 ± 0.0008 Å
• c: 18.6671 ± 0.0007 Å
• α: 90°
• β: 109.586 ± 0.001°
• γ: 90°
• Cell volume: 7094.9 ± 0.4 ų
• Cell temperature: 173 ± 1 K
• Ambient diffraction temperature: 173 ± 1 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1324
• Residual factor for significantly intense reflections: 0.06
• Weighted residual factors for significantly intense reflections: 0.1466
• Weighted residual factors for all reflections included in the refinement: 0.1922
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No