Information card for entry 4081181

Structure parameters

• Formula: C63 H64 N P3 Ru Si
• Calculated formula: C63 H64 N P3 Ru Si
• SMILES: [Ru]12345[P@]6(CN(C[P]71[C@@H](CC[C@H]7c1ccccc1)c1ccccc1)C[P@]12[C@@H](CC[C@H]1c1c4cccc1)c1ccccc1)[C@@H](CC[C@H]6c1ccccc1)c1c([Si](c2ccccc2)(c2ccccc2)([H]5)[H]3)cccc1
• Title of publication: Hydrogenation and Silylation of a Double-Cyclometalated Ruthenium Complex: Structures and Dynamic Behavior of Hydrido and Hydridosilicate Ruthenium Complexes
• Authors of publication: Scherl, Peter; Wadepohl, Hubert; Gade, Lutz H.
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 15
• Pages of publication: 4409
• a: 11.90299 ± 0.00005 Å
• b: 19.06264 ± 0.00008 Å
• c: 22.67018 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5143.92 ± 0.04 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0274
• Residual factor for significantly intense reflections: 0.0243
• Weighted residual factors for significantly intense reflections: 0.0547
• Weighted residual factors for all reflections included in the refinement: 0.0553
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No