Information card for entry 4320774

Structure parameters

• Formula: C19 H22 O5 Ru2 S Si2
• Calculated formula: C19 H22 O5 Ru2 S Si2
• SMILES: [Ru]12345([S]([Ru]6789%10([c]%11([Si](O[Si]([c]%121[c]5([cH]4[cH]3[cH]2%12)C%10=O)(C)C)(C)C)[cH]6[cH]7[cH]8[cH]9%11)C#[O])C)(C#[O])C#[O]
• Title of publication: Reactions of the Protonated Dinuclear Ruthenium Complex [{(η5-C5H3)2(SiMe2)2}Ru2(CO)4(μ-H)]+ with Nucleophiles
• Authors of publication: Maxim V. Ovchinnikov; Arkady M. Ellern; Ilia A. Guzei; Robert J. Angelici
• Journal of publication: Inorganic Chemistry
• Year of publication: 2001
• Journal volume: 40
• Pages of publication: 7014 - 7019
• a: 10.5499 ± 0.0004 Å
• b: 14.3295 ± 0.0006 Å
• c: 16.4601 ± 0.0007 Å
• α: 92.7868 ± 0.001°
• β: 106.532 ± 0.001°
• γ: 102.35 ± 0.001°
• Cell volume: 2314.31 ± 0.16 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.023
• Residual factor for significantly intense reflections: 0.0201
• Weighted residual factors for significantly intense reflections: 0.0504
• Weighted residual factors for all reflections included in the refinement: 0.0515
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No