Information card for entry 4075616

Structure parameters

• Chemical name: (2-phenyl-6-(2-amino-(3',3'-dimethyl)-propyl)pyridine,C,N,N')- [1,4-bis(diphenylphosphino)-buthane,P,P']chloro-ruthenium(II)
• Formula: C44 H47 Cl N2 P2 Ru
• Calculated formula: C44 H47 Cl N2 P2 Ru
• SMILES: [Ru]123(Cl)([P](CCCC[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)[n]1c(c4c3cccc4)cccc1[C@H]([NH2]2)C(C)(C)C
• Title of publication: Terdentate RuX(CNN)(PP) (X = Cl, H, OR) Complexes: Synthesis, Properties, and Catalytic Activity in Fast Transfer Hydrogenation
• Authors of publication: Baratta, Walter; Bosco, Marco; Chelucci, Giorgio; Del Zotto, Alessandro; Siega, Katia; Toniutti, Micaela; Zangrando, Ennio; Rigo, Pierluigi
• Journal of publication: Organometallics
• Year of publication: 2006
• Journal volume: 25
• Journal issue: 19
• Pages of publication: 4611
• a: 12.047 ± 0.003 Å
• b: 15.9 ± 0.003 Å
• c: 21.476 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4113.7 ± 1.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0416
• Residual factor for significantly intense reflections: 0.034
• Weighted residual factors for significantly intense reflections: 0.0832
• Weighted residual factors for all reflections included in the refinement: 0.0858
• Goodness-of-fit parameter for all reflections included in the refinement: 0.975
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mokα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No