Information card for entry 4088248

Structure parameters

• Formula: C32 H43 Cl7 N2 Ru Si2
• Calculated formula: C32 H43 Cl7 N2 Ru Si2
• SMILES: [RuH]1234([Si](Cl)(Cl)Cl)([Si](Cl)(Cl)Cl)(Cl)[cH]5[cH]1[cH]2[cH]3[cH]45.n1(c[n+](cc1)c1c(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: 11.2074 ± 0.0004 Å
• b: 11.2257 ± 0.0004 Å
• c: 18.4143 ± 0.0006 Å
• α: 83.216 ± 0.0015°
• β: 88.0443 ± 0.0015°
• γ: 60.9801 ± 0.0013°
• Cell volume: 2010.96 ± 0.12 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: 0.0755
• Residual factor for significantly intense reflections: 0.0466
• Weighted residual factors for significantly intense reflections: 0.1221
• Weighted residual factors for all reflections included in the refinement: 0.1291
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No