Information card for entry 4121544

Structure parameters

• Formula: C48 H47 P3 Ru
• Calculated formula: C48 H47 P3 Ru
• SMILES: [Ru]123456([P](CC[P]1(c1ccccc1)c1ccccc1P2c1ccccc1)(c1ccccc1)c1ccccc1)[c]1([c]3([c]4([c]5([c]61Cc1ccccc1)C)C)C)C
• 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: 12.8172 ± 0.0005 Å
• b: 20.1431 ± 0.0008 Å
• c: 14.8527 ± 0.0006 Å
• α: 90°
• β: 92.099 ± 0.001°
• γ: 90°
• Cell volume: 3832.1 ± 0.3 ų
• Cell temperature: 147 ± 2 K
• Ambient diffraction temperature: 147 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.048
• Residual factor for significantly intense reflections: 0.0336
• Weighted residual factors for significantly intense reflections: 0.0741
• Weighted residual factors for all reflections included in the refinement: 0.08
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No