Information card for entry 4074212

Structure parameters

• Formula: C23 H35 Cl N2 O2 P2 Ru
• Calculated formula: C23 H35 Cl N2 O2 P2 Ru
• SMILES: [Ru]12(Cl)([P](n3cccc3C2c2n([P]1(C(C)C)C(C)C)ccc2)(C(C)C)C(C)C)(C#[O])C#[O]
• Title of publication: Double C−H Activation Results in Ruthenium Complexes of a Neutral PCP Ligand with a Central Carbene Moiety
• Authors of publication: Weng, Wei; Parkin, Sean; Ozerov, Oleg V.
• Journal of publication: Organometallics
• Year of publication: 2006
• Journal volume: 25
• Journal issue: 22
• Pages of publication: 5345
• a: 8.1742 ± 0.0003 Å
• b: 11.331 ± 0.001 Å
• c: 26.6412 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2467.6 ± 0.2 ų
• Cell temperature: 90 ± 0.2 K
• Ambient diffraction temperature: 90 ± 0.2 K
• Number of distinct elements: 7
• 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: 0.0847
• Residual factor for significantly intense reflections: 0.0479
• Weighted residual factors for significantly intense reflections: 0.1013
• Weighted residual factors for all reflections included in the refinement: 0.1072
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No