Information card for entry 4323711

Structure parameters

• Formula: C51 H42 Cl F6 N3 P4 Ru
• Calculated formula: C51 H42 Cl F6 N3 P4 Ru
• SMILES: [Ru]12(Cl)([P](c3[n]1cccc3)(c1[n]2cccc1)c1ncccc1)([P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Synthesis, Structure, and Reactivity of [RuCl(PP)]PF~6~ (PP = (PPh~3~)~2~, Ph~2~P(CH~2~)~4~PPh~2~; L = Ppy~3~, PPhpy~2~; py = 2-pyridyl). The "Missing" P,N,N'-Coordination Mode for 2-Pyridylphosphines
• Authors of publication: Richard P. Schutte; Steven J. Rettig; Ajey M. Joshi; Brian R. James
• Journal of publication: Inorganic Chemistry
• Year of publication: 1997
• Journal volume: 36
• Pages of publication: 5809 - 5817
• a: 17.8117 ± 0.0014 Å
• b: 11.353 ± 0.002 Å
• c: 23.3914 ± 0.0013 Å
• α: 90°
• β: 97.738 ± 0.005°
• γ: 90°
• Cell volume: 4687 ± 0.9 ų
• Cell temperature: 294.2 K
• Ambient diffraction temperature: 294.2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.033
• Weighted residual factors for all reflections included in the refinement: 0.031
• Goodness-of-fit parameter for all reflections included in the refinement: 1.76
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No