Information card for entry 4066883

Structure parameters

• Formula: C35 H61 N2 Ru S Si2
• Calculated formula: C35 H54 N2 Ru S Si2
• SMILES: c1(c(cccc1[Si](C)(C)C)[Si](C)(C)C)S[Ru]1234([c]5([c]1([c]2([c]3([c]45C)C)C)C)C)(C#[N]C(C)(C)C)C#[N]C(C)(C)C.CCCCCC
• 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: 20.2705 ± 0.0008 Å
• b: 18.1441 ± 0.0007 Å
• c: 22.6104 ± 0.001 Å
• α: 90°
• β: 104.327 ± 0.001°
• γ: 90°
• Cell volume: 8057.2 ± 0.6 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1067
• Residual factor for significantly intense reflections: 0.0651
• Weighted residual factors for significantly intense reflections: 0.1675
• Weighted residual factors for all reflections included in the refinement: 0.1992
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No