Information card for entry 4121356

Structure parameters

• Formula: C33 H45 Cl P2 Ru Si
• Calculated formula: C33 H45 Cl P2 Ru Si
• SMILES: [Ru]12([P](c3c([Si]2(C)c2c([P]1(C(C)C)C(C)C)cccc2)cccc3)(C(C)C)C(C)C)(Cl)=C=Cc1ccccc1
• 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: 14.422 ± 0.002 Å
• b: 15.902 ± 0.002 Å
• c: 13.8473 ± 0.0019 Å
• α: 90°
• β: 91.731 ± 0.002°
• γ: 90°
• Cell volume: 3174.3 ± 0.7 ų
• Cell temperature: 100 ± 0.2 K
• Ambient diffraction temperature: 100 ± 0.2 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: 0.092
• Residual factor for significantly intense reflections: 0.0412
• Weighted residual factors for significantly intense reflections: 0.0608
• Weighted residual factors for all reflections included in the refinement: 0.07
• Goodness-of-fit parameter for all reflections included in the refinement: 0.802
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No