Information card for entry 4121357

Structure parameters

• Formula: C26 H39 Cl O P2 Ru Si
• Calculated formula: C26 H39 Cl O P2 Ru Si
• SMILES: c12c(cccc1)[Si]1(C)c3c(cccc3)[P](C(C)C)(C(C)C)[Ru]1(C#[O])([P]2(C(C)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: 9.529 ± 0.003 Å
• b: 9.891 ± 0.004 Å
• c: 15.47 ± 0.006 Å
• α: 90.93 ± 0.005°
• β: 94.619 ± 0.005°
• γ: 110.277 ± 0.004°
• Cell volume: 1361.7 ± 0.9 ų
• Cell temperature: 100 ± 0.2 K
• Ambient diffraction temperature: 100 ± 0.2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0965
• Residual factor for significantly intense reflections: 0.0702
• Weighted residual factors for significantly intense reflections: 0.1788
• Weighted residual factors for all reflections included in the refinement: 0.1943
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No