Information card for entry 4077544

Structure parameters

• Formula: C21 H27 Cl P2 Ru
• Calculated formula: C21 H27 Cl P2 Ru
• SMILES: [Ru]1234(Cl)([P](C)(C)c5ccccc5)([P](C)(C)c5ccccc5)[cH]5[cH]1[cH]2[cH]3[cH]45
• Title of publication: Effect of Ancillary Ligation on the Relative Bond Disruption Enthalpies of Ru−H and Ru−Cl Bonds in Cp(PR3)2RuX (PR3= PMe3, PMe2Ph, PMePh2, PPh3; X = H, Cl)
• Authors of publication: Freeman, Samuel T. N.; Lemke, Frederick R.; Haar, Christopher M.; Nolan, Steven P.; Petersen, Jeffrey L.
• Journal of publication: Organometallics
• Year of publication: 2000
• Journal volume: 19
• Journal issue: 23
• Pages of publication: 4828
• a: 16.106 ± 0.001 Å
• b: 14.22 ± 0.001 Å
• c: 37.378 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8560.6 ± 1.2 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1011
• Residual factor for significantly intense reflections: 0.0456
• Weighted residual factors for all reflections: 0.0927
• Weighted residual factors for significantly intense reflections: 0.0746
• Goodness-of-fit parameter for all reflections: 1.001
• Goodness-of-fit parameter for significantly intense reflections: 1.077
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No