Information card for entry 4070999

Structure parameters

• Common name: complex 8
• Formula: C41 H59 Cl2 O4 P Ru Si2
• Calculated formula: C41 H59 Cl2 O4 P Ru Si2
• SMILES: [Ru]1([Si](C)(C)c2cccc3c2Oc2c([Si]1(C)C)cccc2C3(C)C)([P](C1CCCCC1)(C1CCCCC1)C1CCCCC1)(C#[O])(C#[O])C#[O].C(Cl)Cl
• 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: 15.9513 ± 0.0005 Å
• b: 10.5822 ± 0.0003 Å
• c: 25.8317 ± 0.001 Å
• α: 90°
• β: 101.352 ± 0.001°
• γ: 90°
• Cell volume: 4275.1 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 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: 0.052
• Residual factor for significantly intense reflections: 0.042
• Weighted residual factors for significantly intense reflections: 0.135
• Weighted residual factors for all reflections included in the refinement: 0.1698
• Goodness-of-fit parameter for all reflections included in the refinement: 1.174
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No