Information card for entry 4070997

Structure parameters

• Common name: complex 4
• Formula: C29 H51 O2 P3 Ru Si2
• Calculated formula: C29 H51 O2 P3 Ru Si2
• SMILES: [Ru]1([Si](C)(C)c2cccc3c2Oc2c([Si]1(C)C)cccc2C3(C)C)(C#[O])([P](C)(C)C)([P](C)(C)C)[P](C)(C)C
• Title of publication: [Ru(xantsil)(CO)(η6-toluene)]: Synthon for a Highly Unsaturated Ruthenium(II) Complex through Facile Dissociation of the Toluene Ligand [xantsil = (9,9-dimethylxanthene-4,5-diyl)bis(dimethylsilyl)]
• Authors of publication: Okazaki, Masaaki; Yamahira, Nobukazu; Minglana, Jim Josephus Gabrillo; Komuro, Takashi; Ogino, Hiroshi; Tobita, Hiromi
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 5
• Pages of publication: 918
• a: 17.0553 ± 0.0004 Å
• b: 20.1437 ± 0.0006 Å
• c: 19.2039 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6597.6 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0525
• Residual factor for significantly intense reflections: 0.0415
• Weighted residual factors for significantly intense reflections: 0.1011
• Weighted residual factors for all reflections included in the refinement: 0.128
• Goodness-of-fit parameter for all reflections included in the refinement: 1.226
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No