Information card for entry 7010756

Structure parameters

• Formula: C19 H18 O9 Ru3 S Si2
• Calculated formula: C19 H18 O9 Ru3 S Si2
• SMILES: [Ru]123([Ru]4([Ru]5([S]1C#C[Si](C)(C)C)([C]24=[C]35[Si](C)(C)C)(C#[O])(C#[O])C#[O])(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: 9.5045 ± 0.0012 Å
• b: 16.499 ± 0.002 Å
• c: 18.014 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2824.9 ± 0.6 ų
• Cell temperature: 160 ± 2 K
• Ambient diffraction temperature: 160 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0169
• Residual factor for significantly intense reflections: 0.0166
• Weighted residual factors for significantly intense reflections: 0.0424
• Weighted residual factors for all reflections included in the refinement: 0.0426
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No