Information card for entry 7010757

Structure parameters

• Formula: C21 H18 O11 Ru4 S Si2
• Calculated formula: C21 H18 O11 Ru4 S Si2
• SMILES: [Ru]12345([Ru]67([Ru]89%10%11([Ru]1(S268)([C]39([Si](C)(C)C)[C]47%10C#C[Si](C)(C)C)(C5=O)(C#[O])(C#[O])C%11=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: 17.1122 ± 0.0019 Å
• b: 9.9572 ± 0.0009 Å
• c: 17.7322 ± 0.0018 Å
• α: 90°
• β: 101.522 ± 0.012°
• γ: 90°
• Cell volume: 2960.5 ± 0.5 ų
• Cell temperature: 160 ± 2 K
• Ambient diffraction temperature: 160 ± 2 K
• Number of distinct elements: 6
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/c 1
• Hall space group symbol: -P 2yc
• Residual factor for all reflections: 0.0246
• Residual factor for significantly intense reflections: 0.0198
• Weighted residual factors for significantly intense reflections: 0.0472
• Weighted residual factors for all reflections included in the refinement: 0.0502
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No