Information card for entry 4070356

Structure parameters

• Formula: C48 H52.6 Cl3 N2 P2 Ru
• Calculated formula: C48 H52.6 Cl3 N2 P2 Ru
• Title of publication: Coordination, Agostic Stabilization, and C−H Bond Activation of N-Alkyl Heterocyclic Carbenes by Coordinatively Unsaturated Ruthenium Hydride Chloride Complexes
• Authors of publication: Burling, Suzanne; Mas-Marzá, Elena; Valpuesta, José E. V.; Mahon, Mary F.; Whittlesey, Michael K.
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 23
• Pages of publication: 6676
• a: 12.58 ± 0.0001 Å
• b: 14.248 ± 0.0002 Å
• c: 14.644 ± 0.0002 Å
• α: 103.998 ± 0.001°
• β: 106.055 ± 0.001°
• γ: 110.1 ± 0.001°
• Cell volume: 2197.5 ± 0.06 ų
• Cell temperature: 150 ± 2 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: 0.0439
• Residual factor for significantly intense reflections: 0.0325
• Weighted residual factors for significantly intense reflections: 0.0764
• Weighted residual factors for all reflections included in the refinement: 0.0817
• 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: Yes
• Has Fobs: No