Information card for entry 4337910

Structure parameters

• Formula: C43 H42 N P3 Ru
• Calculated formula: C43 H42 N P3 Ru
• SMILES: C1N2C[P]([Ru]345([P]1(c1ccccc1)c1ccccc1)([P](C2)(c1ccccc1)c1ccccc1)[C](=[CH2]3)(C4)C5)(c1ccccc1)c1ccccc1
• Title of publication: Synthesis, Characterization, and Reactivity of Ruthenium Hydride Complexes of N-Centered Triphosphine Ligands.
• Authors of publication: Phanopoulos, Andreas; Brown, Neil J.; White, Andrew J. P.; Long, Nicholas J.; Miller, Philip W.
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 7
• Pages of publication: 3742
• a: 13.5997 ± 0.0002 Å
• b: 13.5997 ± 0.0002 Å
• c: 32.6601 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 5231.27 ± 0.16 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 5
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0285
• Residual factor for significantly intense reflections: 0.0234
• Weighted residual factors for significantly intense reflections: 0.0574
• Weighted residual factors for all reflections included in the refinement: 0.0606
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No