Information card for entry 4070357

Structure parameters

• Formula: C48 H51 Cl3 N2 P2 Ru
• Calculated formula: C48 H51 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: 12.59 ± 0.0001 Å
• b: 14.153 ± 0.0001 Å
• c: 14.644 ± 0.0001 Å
• α: 105.247 ± 0.001°
• β: 106.279 ± 0.001°
• γ: 108.457 ± 0.001°
• Cell volume: 2191.48 ± 0.04 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: 0.0431
• Residual factor for significantly intense reflections: 0.0356
• Weighted residual factors for significantly intense reflections: 0.0899
• Weighted residual factors for all reflections included in the refinement: 0.0944
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No