Information card for entry 4088246

Structure parameters

• Formula: C38 H49 Cl N2 Ru Si
• Calculated formula: C38 H49 Cl N2 Ru Si
• SMILES: [RuH]1234([SiH2]c5ccccc5)(Cl)([cH]5[cH]1[cH]2[cH]3[cH]45)=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: 11.4152 ± 0.0006 Å
• b: 15.9638 ± 0.0009 Å
• c: 19.8855 ± 0.001 Å
• α: 95.4893 ± 0.0017°
• β: 98.277 ± 0.0016°
• γ: 91.0324 ± 0.0016°
• Cell volume: 3567.7 ± 0.3 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 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: 0.0735
• Residual factor for significantly intense reflections: 0.0461
• Weighted residual factors for significantly intense reflections: 0.1057
• Weighted residual factors for all reflections included in the refinement: 0.1195
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No