Information card for entry 4121354

Structure parameters

• Formula: C35 H59 Cl P2 Ru Si2
• Calculated formula: C35 H59 Cl P2 Ru Si2
• SMILES: [Ru]123(=C(C3([Si](C)(c3c([P]2(C(C)C)C(C)C)cccc3)C[Si](C)(C)C)c2c([P]1(C(C)C)C(C)C)cccc2)C(C)(C)C)Cl
• Title of publication: Reversible Insertion of Carbenes into Ruthenium-Silicon Bonds
• Authors of publication: María J. Bernal; Olga Torres; Marta Martín; Eduardo Sola
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2013
• Journal volume: 135
• Pages of publication: 19008 - 19015
• a: 10.3126 ± 0.0007 Å
• b: 11.7478 ± 0.0008 Å
• c: 15.7614 ± 0.0011 Å
• α: 101.007 ± 0.001°
• β: 96.918 ± 0.001°
• γ: 92.577 ± 0.001°
• Cell volume: 1856.2 ± 0.2 ų
• Cell temperature: 100 ± 0.2 K
• Ambient diffraction temperature: 100 ± 0.2 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: 0.0396
• Residual factor for significantly intense reflections: 0.0313
• Weighted residual factors for significantly intense reflections: 0.0682
• Weighted residual factors for all reflections included in the refinement: 0.0717
• Goodness-of-fit parameter for all reflections included in the refinement: 0.989
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No