Information card for entry 4074211

Structure parameters

• Formula: C21 H34 Cl N2 P2 Ru
• Calculated formula: C21 H34 Cl N2 P2 Ru
• 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: 33.1655 ± 0.0009 Å
• b: 15.3277 ± 0.0004 Å
• c: 14.0994 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7167.4 ± 0.3 ų
• Cell temperature: 90 ± 0.2 K
• Ambient diffraction temperature: 90 ± 0.2 K
• Number of distinct elements: 6
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0705
• Residual factor for significantly intense reflections: 0.0617
• Weighted residual factors for significantly intense reflections: 0.1451
• Weighted residual factors for all reflections included in the refinement: 0.1508
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No