Information card for entry 4088249

Structure parameters

• Formula: C33 H45 Cl3 N2 Ru Si
• Calculated formula: C33 H45 Cl3 N2 Ru Si
• SMILES: [RuH]1234([Si](Cl)(Cl)C)(Cl)([cH]5[cH]4[cH]3[cH]2[cH]15)=C1N(C=CN1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C
• Title of publication: Half-Sandwich Silane σ-Complexes of Ruthenium Supported by NHC Carbene
• Authors of publication: Mai, Van Hung; Korobkov, Ilia; Nikonov, Georgii I.
• Journal of publication: Organometallics
• Year of publication: 2016
• Journal volume: 35
• Journal issue: 7
• Pages of publication: 936
• a: 17.4593 ± 0.0011 Å
• b: 12.4412 ± 0.0008 Å
• c: 15.8779 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3448.9 ± 0.4 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 6
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0329
• Residual factor for significantly intense reflections: 0.0296
• Weighted residual factors for significantly intense reflections: 0.0662
• Weighted residual factors for all reflections included in the refinement: 0.0678
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No