Information card for entry 4076115

Structure parameters

• Formula: C49 H65 N4 O P Ru
• Calculated formula: C49 H65 N4 O P Ru
• SMILES: [RuH2]([P](c1ccccc1)(c1ccccc1)c1ccccc1)(C#[O])(=C1N(C=CN1C1CCCCC1)C1CCCCC1)=C1N(C=CN1C1CCCCC1)C1CCCCC1
• Title of publication: Ruthenium Hydride Complexes of 1,2-Dicyclohexylimidazol-2-ylidene
• Authors of publication: Burling, Suzanne; Kociok-Köhn, Gabriele; Mahon, Mary F.; Whittlesey, Michael K.; Williams, Jonathan M. J.
• Journal of publication: Organometallics
• Year of publication: 2005
• Journal volume: 24
• Journal issue: 24
• Pages of publication: 5868
• a: 9.718 ± 0.0001 Å
• b: 19.708 ± 0.0003 Å
• c: 22.873 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4380.69 ± 0.11 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0709
• Residual factor for significantly intense reflections: 0.0444
• Weighted residual factors for significantly intense reflections: 0.077
• Weighted residual factors for all reflections included in the refinement: 0.0851
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No