Information card for entry 7022611

Structure parameters

• Common name: compound2
• Formula: C21 H18 O12 Ru4 Si2
• Calculated formula: C21 H18 O12 Ru4 Si2
• SMILES: [C]12(=[C]34[Ru]5672(C#[O])(C#[O])C(=O)[Ru]15(C#[O])(C#[O])(C#[O])[Ru]1247([C]=3([Ru]62(C#[O])(C#[O])(C#[O])C1=O)[Si](C)(C)C)(C#[O])C#[O])[Si](C)(C)C
• Title of publication: Coupling of acetylene molecules on ruthenium clusters, involving cleavage of C-Si bonds in the alkyne and coordination of a phenyl ring of a SiPh3 group.
• Authors of publication: González-López, Vianney; Leyva, Marco A.; Rosales-Hoz, María J
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 15
• Pages of publication: 5401 - 5411
• a: 9.7557 ± 0.0014 Å
• b: 9.7557 ± 0.0014 Å
• c: 27.274 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 2248 ± 0.7 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 5
• Space group number: 152
• Hermann-Mauguin space group symbol: P 31 2 1
• Hall space group symbol: P 31 2"
• Residual factor for all reflections: 0.0666
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for significantly intense reflections: 0.0581
• Weighted residual factors for all reflections included in the refinement: 0.0639
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No