Information card for entry 4063250

Structure parameters

• Formula: C31 H29 Br N2 P2
• Calculated formula: C31 H29 Br N2 P2
• SMILES: [Br-].P(=[NH+]c1c(N)cccc1)(CP(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1
• 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: 10.31 ± 0.001 Å
• b: 10.671 ± 0.001 Å
• c: 13.148 ± 0.001 Å
• α: 94.231 ± 0.001°
• β: 102.856 ± 0.001°
• γ: 103.282 ± 0.001°
• Cell volume: 1360.6 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0705
• Residual factor for significantly intense reflections: 0.0405
• Weighted residual factors for significantly intense reflections: 0.09
• Weighted residual factors for all reflections included in the refinement: 0.1007
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No