Information card for entry 4077130

Structure parameters

• Common name: [RuCp(PMe3)(=CPhNH-py)]PF6.(Me2CO)
• Formula: C23 H30 F6 N2 O P2 Ru
• Calculated formula: C23 H30 F6 N2 O P2 Ru
• SMILES: [Ru]12345([P](C)(C)C)([n]6c(NC=5c5ccccc5)cccc6)[cH]5[cH]4[cH]3[cH]2[cH]15.[P](F)(F)(F)(F)(F)[F-].O=C(C)C
• Title of publication: Novel Ruthenium-Mediated Conversion of Aldimines and Aminals to Aminocarbene Complexes
• Authors of publication: Standfest-Hauser, Christina M.; Mereiter, Kurt; Schmid, Roland; Kirchner, Karl
• Journal of publication: Organometallics
• Year of publication: 2002
• Journal volume: 21
• Journal issue: 23
• Pages of publication: 4891
• a: 10.8413 ± 0.0014 Å
• b: 13.0004 ± 0.0017 Å
• c: 19.143 ± 0.002 Å
• α: 90°
• β: 100.784 ± 0.002°
• γ: 90°
• Cell volume: 2650.4 ± 0.6 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 2 K
• Number of distinct elements: 7
• 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: 0.0224
• Residual factor for significantly intense reflections: 0.0193
• Weighted residual factors for significantly intense reflections: 0.0468
• Weighted residual factors for all reflections included in the refinement: 0.0483
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No