Information card for entry 4101408

Structure parameters

• Formula: C19 H43 Cl N2 P2 Ru
• Calculated formula: C19 H43 Cl N2 P2 Ru
• SMILES: [RuH]123(Cl)[P](N[CH]2=[CH]3CN[P]1(C(C)(C)C)C(C)(C)C)(C(C)(C)C)C(C)(C)C
• Title of publication: Carbene vs olefin products of C-H activation on ruthenium via competing alpha- and beta-H elimination.
• Authors of publication: Kuznetsov, Vladimir F; Abdur-Rashid, Kamaluddin; Lough, Alan J; Gusev, Dmitry G
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2006
• Journal volume: 128
• Journal issue: 44
• Pages of publication: 14388 - 14396
• a: 12.8009 ± 0.0002 Å
• b: 13.543 ± 0.0002 Å
• c: 15.061 ± 0.0002 Å
• α: 98.874 ± 0.001°
• β: 107.448 ± 0.001°
• γ: 90.431 ± 0.001°
• Cell volume: 2457.05 ± 0.06 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 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: 0.0411
• Residual factor for significantly intense reflections: 0.0338
• Weighted residual factors for significantly intense reflections: 0.0805
• Weighted residual factors for all reflections included in the refinement: 0.0847
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No