Information card for entry 4121542

Structure parameters

• Formula: C49 H51 Cl4 P3 Ru
• Calculated formula: C49 H51 Cl4 P3 Ru
• SMILES: [Ru]12345([P](C=C[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)([PH](c1ccccc1)c1ccccc1)[c]1([c]2([c]3([c]4([c]51C)C)C)C)C.Cl[H]Cl.ClCCl
• Title of publication: Reactivity of Ruthenium Phosphido Species Generated through the Deprotonation of a Tripodal Phosphine Ligand and Implications for Hydrophosphination.
• Authors of publication: Sues, Peter E.; Lough, Alan J.; Morris, Robert H.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2014
• Journal volume: 136
• Journal issue: 12
• Pages of publication: 4746 - 4760
• a: 14.5577 ± 0.0004 Å
• b: 22.5689 ± 0.0007 Å
• c: 27.0099 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8874.1 ± 0.5 ų
• Cell temperature: 147 ± 2 K
• Ambient diffraction temperature: 147 ± 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: 0.0289
• Residual factor for significantly intense reflections: 0.026
• Weighted residual factors for significantly intense reflections: 0.0625
• Weighted residual factors for all reflections included in the refinement: 0.0641
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No