Information card for entry 1506454

Structure parameters

• Formula: C16 H19 F6 N2 P Ru
• Calculated formula: C16 H17 F6 N2 P Ru
• SMILES: [Ru]123456([N]#CC)([NH2][C@H](C)c7c1cccc7)[cH]1[cH]2[cH]3[cH]4[cH]5[cH]61.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Cycloruthenated primary and secondary amines as efficient catalyst precursors for asymmetric transfer hydrogenation.
• Authors of publication: Sortais, Jean-Baptiste; Ritleng, Vincent; Voelklin, Adeline; Holuigue, Alexandre; Smail, Hakima; Barloy, Laurent; Sirlin, Claude; Verzijl, Gerard K. M.; Boogers, Jeroen A. F.; de Vries, André H M; de Vries, Johannes G.; Pfeffer, Michel
• Journal of publication: Organic letters
• Year of publication: 2005
• Journal volume: 7
• Journal issue: 7
• Pages of publication: 1247 - 1250
• a: 9.2385 ± 0.0002 Å
• b: 12.0517 ± 0.0003 Å
• c: 16.415 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1827.64 ± 0.08 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 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: 0.071
• Residual factor for significantly intense reflections: 0.036
• Weighted residual factors for all reflections: 0.123
• Weighted residual factors for all reflections included in the refinement: 0.044
• Goodness-of-fit parameter for all reflections: 3.376
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mo-Kα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No