Information card for entry 4088247

Structure parameters

• Formula: C32 H41 Cl N2 Ru
• Calculated formula: C32 H41 Cl N2 Ru
• SMILES: [Ru]1234(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: 12.6112 ± 0.0003 Å
• b: 14.8442 ± 0.0004 Å
• c: 16.5695 ± 0.0004 Å
• α: 90°
• β: 104.464 ± 0.0014°
• γ: 90°
• Cell volume: 3003.55 ± 0.13 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0565
• Residual factor for significantly intense reflections: 0.0352
• Weighted residual factors for significantly intense reflections: 0.0775
• Weighted residual factors for all reflections included in the refinement: 0.0871
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No