Information card for entry 4089026

Structure parameters

• Formula: C33 H42 Cl2 O3 Ru Si
• Calculated formula: C33 H42 Cl2 O3 Ru Si
• SMILES: [Ru]1234567(Cl)(C(Cl)([C]1(O[Si](C(C)(C)C)(C)C)=[CH]4c1ccccc1)C(=O)OCc1ccccc1)[cH]1[cH]3[c]2([cH]5[cH]7[c]61C)C(C)C
• Title of publication: Reactivity and Selectivity in Catalytic Reactions of Enoldiazoacetamides. Assessment of Metal Carbenes as Intermediates
• Authors of publication: Deng, Yongming; Jing, Changcheng; Arman, Hadi; Doyle, Michael P.
• Journal of publication: Organometallics
• Year of publication: 2016
• Journal volume: 35
• Journal issue: 19
• Pages of publication: 3413
• a: 10.141 ± 0.0015 Å
• b: 15.406 ± 0.002 Å
• c: 21.056 ± 0.003 Å
• α: 90°
• β: 95.288 ± 0.003°
• γ: 90°
• Cell volume: 3275.6 ± 0.8 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 6
• 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: 0.0406
• Residual factor for significantly intense reflections: 0.0366
• Weighted residual factors for significantly intense reflections: 0.0939
• Weighted residual factors for all reflections included in the refinement: 0.0973
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No