Information card for entry 4070998

Structure parameters

• Common name: complex 6
• Formula: C38 H57 O2 P Ru Si2
• Calculated formula: C38 H57 O2 P Ru Si2
• SMILES: [Ru]12([Si](C)(C)c3cccc4C(c5cccc([Si]1(C)C)c5[O]2c34)(C)C)([P](C1CCCCC1)(C1CCCCC1)C1CCCCC1)C#[O]
• 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: 10.1305 ± 0.0017 Å
• b: 10.3795 ± 0.0012 Å
• c: 19.2411 ± 0.0018 Å
• α: 98.116 ± 0.004°
• β: 92.896 ± 0.006°
• γ: 112.966 ± 0.008°
• Cell volume: 1831.8 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.083
• Residual factor for significantly intense reflections: 0.0594
• Weighted residual factors for significantly intense reflections: 0.1702
• Weighted residual factors for all reflections included in the refinement: 0.2028
• Goodness-of-fit parameter for all reflections included in the refinement: 1.165
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No