Information card for entry 4313618

Structure parameters

• Formula: C39 H48 B Cl F4 N O3 P3 Ru
• Calculated formula: C39 H48 B Cl F4 N O3 P3 Ru
• SMILES: [Ru]123456([P](c7ccccc7)(c7ccccc7)CP(=NP(=[O]1)(OCC)OCC)(c1ccccc1)c1ccccc1)(Cl)C[C]2(C)=[CH]3CC[CH]4=[C]5(C)C6.[B](F)(F)(F)[F-]
• Title of publication: Ruthenium(II) and Ruthenium(IV) Complexes Containing κ1-P-, κ2-P,O-, and κ3-P,N,O-Iminophosphorane-Phosphine Ligands Ph2PCH2P{NP(O)(OR)2}Ph2 (R = Et, Ph): Synthesis, Reactivity, Theoretical Studies, and Catalytic Activity in Transfer Hydrogenation of Cyclohexanone
• Authors of publication: Victorio Cadierno; Pascale Crochet; Josefina Díez; Joaquín García-Álvarez; Sergio E. García-Garrido; José Gimeno; Santiago García-Granda; Miguel A. Rodríguez
• Journal of publication: Inorganic Chemistry
• Year of publication: 2003
• Journal volume: 42
• Pages of publication: 3293 - 3307
• a: 13.959 ± 0.005 Å
• b: 15.042 ± 0.006 Å
• c: 19.966 ± 0.008 Å
• α: 90°
• β: 100.253 ± 0.009°
• γ: 90°
• Cell volume: 4125 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 9
• 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: 0.1684
• Residual factor for significantly intense reflections: 0.0586
• Weighted residual factors for significantly intense reflections: 0.1156
• Weighted residual factors for all reflections included in the refinement: 0.1464
• Goodness-of-fit parameter for all reflections included in the refinement: 0.948
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No