Information card for entry 4083446

Structure parameters

• Chemical name: (tBu2MeSi)4Si4Ru(CO)3
• Formula: C39 H84 O3 Ru Si8
• Calculated formula: C39 H84 O3 Ru Si8
• SMILES: [Ru]123([Si]4([Si]2([Si]1([Si](C)(C(C)(C)C)C(C)(C)C)[Si]34[Si](C)(C(C)(C)C)C(C)(C)C)[Si](C(C)(C)C)(C)C(C)(C)C)[Si](C(C)(C)C)(C(C)(C)C)C)(C#[O])(C#[O])C#[O]
• Title of publication: Tetrasilacyclobutadiene and Cyclobutadiene Tricarbonylruthenium Complexes: [η4-(tBu2MeSi)4Si4]Ru(CO)3and [η4-(Me3Si)4C4]Ru(CO)3
• Authors of publication: Takanashi, Kazunori; Lee, Vladimir Ya.; Sekiguchi, Akira
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 4
• Pages of publication: 1248
• a: 15.137 ± 0.0007 Å
• b: 17.545 ± 0.0007 Å
• c: 19.59 ± 0.0005 Å
• α: 93.585 ± 0.002°
• β: 90.93 ± 0.003°
• γ: 92.055 ± 0.002°
• Cell volume: 5188.3 ± 0.3 ų
• Cell temperature: 120 ± 1 K
• Ambient diffraction temperature: 120 ± 1 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0695
• Residual factor for significantly intense reflections: 0.047
• Weighted residual factors for significantly intense reflections: 0.1166
• Weighted residual factors for all reflections included in the refinement: 0.1255
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No