Information card for entry 4313617

Structure parameters

• Formula: C47 H46 Cl2 N O3 P3 Ru
• Calculated formula: C47 H46 Cl2 N O3 P3 Ru
• SMILES: [Ru]12345([P](CP(=NP(=O)(Oc6ccccc6)Oc6ccccc6)(c6ccccc6)c6ccccc6)(c6ccccc6)c6ccccc6)(Cl)(Cl)[c]6([cH]1[cH]2[c]3([cH]4[cH]56)C(C)C)C
• 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: 10.5181 ± 0.0011 Å
• b: 13.8693 ± 0.0016 Å
• c: 15.8555 ± 0.0015 Å
• α: 80.267 ± 0.006°
• β: 85.289 ± 0.006°
• γ: 70.543 ± 0.006°
• Cell volume: 2148.7 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0933
• Residual factor for significantly intense reflections: 0.048
• Weighted residual factors for significantly intense reflections: 0.0978
• Weighted residual factors for all reflections included in the refinement: 0.1241
• Goodness-of-fit parameter for all reflections included in the refinement: 0.966
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No