Information card for entry 7010758

Structure parameters

• Formula: C22 H18 O12 Ru4 S Si2
• Calculated formula: C22 H18 O12 Ru4 S Si2
• SMILES: [Ru]12([Ru]3(S41[Ru]1([Ru]54([C]([Si](C)(C)C)#[C]15)(C#[O])(C#[O])C#[O])(C#[O])(C#[O])C#[O])([C]2#[C]3[Si](C)(C)C)(C#[O])(C#[O])C#[O])(C#[O])(C#[O])C#[O]
• Title of publication: Syntheses of new ruthenium clusters containing sulfur, ynyl and diynyl ligands. Crystal structures of [Ru3(CO)9(µ-η2-SCCSiMe3)(µ3-η2-CCSiMe3)], [Ru4(CO)12(µ4-S)(µ-η2-CCSiMe3)2] and [Ru4(CO)9(µ-CO)2(µ4-S)(µ4-η2-C(SiMe3)C(CCSiMe3)]
• Authors of publication: Alcalde, M. I.; Carty, A. J.; Chi, Y.; Delgado, E.; Donnadieu, B.; Hernández, E.; Dallmann, K.; Sánchez-Nieves, J.
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2001
• Journal issue: 17
• Pages of publication: 2502
• a: 9.8445 ± 0.0009 Å
• b: 12.8209 ± 0.0012 Å
• c: 27.638 ± 0.003 Å
• α: 99.767 ± 0.012°
• β: 95.019 ± 0.011°
• γ: 97.193 ± 0.011°
• Cell volume: 3389.6 ± 0.6 ų
• Cell temperature: 180 ± 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: 0.0464
• Residual factor for significantly intense reflections: 0.0395
• Weighted residual factors for significantly intense reflections: 0.0968
• Weighted residual factors for all reflections included in the refinement: 0.1021
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No