Information card for entry 4063251

Structure parameters

• Formula: C50 H45 Cl4 N2 P3 Ru
• Calculated formula: C50 H45 Cl4 N2 P3 Ru
• SMILES: [Ru]12(Cl)(Cl)([P](CP(=[N]1c1c([NH2]2)cccc1)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1.ClCCl
• Title of publication: A Stable Hydrido Amido Ruthenium Complex Bearing a Tridentate Iminophosphorane-Phosphine-Amine Ligand
• Authors of publication: Leïla Boubekeur; Simon Ulmer; Louis Ricard; Nicolas Mézailles; Pascal Le Floch
• Journal of publication: Organometallics
• Year of publication: 2006
• Journal volume: 25
• Journal issue: 2
• Pages of publication: 315 - 317
• a: 23.324 ± 0.001 Å
• b: 27.387 ± 0.001 Å
• c: 14.28 ± 0.001 Å
• α: 90°
• β: 90.005 ± 0.001°
• γ: 90°
• Cell volume: 9121.7 ± 0.8 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0673
• Residual factor for significantly intense reflections: 0.0437
• Weighted residual factors for significantly intense reflections: 0.1063
• Weighted residual factors for all reflections included in the refinement: 0.1172
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No