Information card for entry 4071000

Structure parameters

• Common name: complex 10
• Formula: C40 H48 O4 Ru2 Si4
• Calculated formula: C40 H48 O4 Ru2 Si4
• SMILES: [cH]12[cH]3[cH]4[Ru]567813(C#[O])[c]12[c]28[c]45C(c3cccc(c3O2)[Si](C)(C)[Ru]23458(C#[O])([c]9([cH]2[cH]3[cH]4[c]25[c]89Oc3c(cccc3C2(C)C)[Si]6(C)C)[Si]7(C)C)[Si]1(C)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: 10.3381 ± 0.0004 Å
• b: 10.4244 ± 0.0006 Å
• c: 10.4263 ± 0.0005 Å
• α: 93.4825 ± 0.0014°
• β: 115.924 ± 0.001°
• γ: 109.649 ± 0.003°
• Cell volume: 922.64 ± 0.08 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0491
• Residual factor for significantly intense reflections: 0.042
• Weighted residual factors for significantly intense reflections: 0.1175
• Weighted residual factors for all reflections included in the refinement: 0.1265
• Goodness-of-fit parameter for all reflections included in the refinement: 1.155
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No