Information card for entry 4068089

Structure parameters

• Formula: C31 H55 N O2 Ru Si4
• Calculated formula: C31 H55 N O2 Ru Si4
• SMILES: [Ru]12345([SiH](OC=[N]1c1c(cc(cc1C)C)C)C([Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C)(C#[O])[c]1([c]2([c]3([c]4([c]51C)C)C)C)C
• Title of publication: Reactions of a Neutral Silylene Ruthenium Complex with Heterocumulenes: C═O Hydrosilylation of Isocyanates vs C═S Bond Cleavage of Isothiocyanate
• Authors of publication: Ochiai, Mitsuyoshi; Hashimoto, Hisako; Tobita, Hiromi
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 2
• Pages of publication: 527
• a: 9.354 ± 0.005 Å
• b: 23.53 ± 0.014 Å
• c: 16.46 ± 0.01 Å
• α: 90°
• β: 91.667 ± 0.002°
• γ: 90°
• Cell volume: 3621 ± 4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 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: 0.113
• Residual factor for significantly intense reflections: 0.0783
• Weighted residual factors for significantly intense reflections: 0.2191
• Weighted residual factors for all reflections included in the refinement: 0.2391
• Goodness-of-fit parameter for all reflections included in the refinement: 1.118
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No