Information card for entry 1546980

Structure parameters

• Formula: C40 H60 Cl N2 O P Ru
• Calculated formula: C40 H60 Cl N2 O P Ru
• SMILES: [RuH](Cl)([P](C1CCCCC1)(C1CCCCC1)C1CCCCC1)(=C1N(CCN1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C)C#[O]
• Title of publication: (Z)-Selective Hydrosilylation of Terminal Alkynes with HSiMe(OSiMe3)2 Catalyzed by a Ruthenium Complex Containing an N-Heterocyclic Carbene.
• Authors of publication: Mutoh, Yuichiro; Mohara, Yusei; Saito, Shinichi
• Journal of publication: Organic letters
• Year of publication: 2017
• Journal volume: 19
• Journal issue: 19
• Pages of publication: 5204 - 5207
• a: 12.1942 ± 0.0014 Å
• b: 17.651 ± 0.002 Å
• c: 18.374 ± 0.002 Å
• α: 90°
• β: 103.235 ± 0.001°
• γ: 90°
• Cell volume: 3849.8 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0415
• Residual factor for significantly intense reflections: 0.0324
• Weighted residual factors for significantly intense reflections: 0.0742
• Weighted residual factors for all reflections included in the refinement: 0.0782
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No