Information card for entry 7044506

Structure parameters

• Formula: C57 H49 Cl4 O P3 Ru Si
• Calculated formula: C57 H49 Cl4 O P3 Ru Si
• SMILES: [RuH]12([P](c3c([SiH]2c2ccccc2[P]1(c1ccccc1)c1ccccc1)cccc3)(c1ccccc1)c1ccccc1)([P](c1ccccc1)(c1ccccc1)c1ccccc1)C#[O].ClCCl.ClCCl
• Title of publication: Silylene-assisted hydride transfer to CO2 and CS2 at a [P2Si]Ru pincer-type complex
• Authors of publication: Whited, Matthew T.; Zhang, Jia; Ma, Senjie; Nguyen, Binh D.; Janzen, Daron E.
• Journal of publication: Dalton Trans.
• Year of publication: 2017
• a: 12.5608 ± 0.001 Å
• b: 17.3752 ± 0.0014 Å
• c: 23.586 ± 0.002 Å
• α: 90°
• β: 92.353 ± 0.006°
• γ: 90°
• Cell volume: 5143.2 ± 0.7 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173.15 K
• Number of distinct elements: 7
• 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: 0.0768
• Residual factor for significantly intense reflections: 0.0489
• Weighted residual factors for significantly intense reflections: 0.0921
• Weighted residual factors for all reflections included in the refinement: 0.1008
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No