Information card for entry 4077129

Structure parameters

• Common name: [RuCp(PPh3)(kappa2NN-py-N=CHPh)]PF6
• Formula: C35 H30 F6 N2 P2 Ru
• Calculated formula: C35 H30 F6 N2 P2 Ru
• SMILES: [Ru]12345([P](c6ccccc6)(c6ccccc6)c6ccccc6)([n]6c([N]1=Cc1ccccc1)cccc6)[cH]1[cH]2[cH]3[cH]4[cH]51.[P](F)(F)(F)(F)(F)[F-]
• 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: 13.476 ± 0.004 Å
• b: 13.64 ± 0.004 Å
• c: 18.345 ± 0.005 Å
• α: 90°
• β: 108.55 ± 0.01°
• γ: 90°
• Cell volume: 3196.9 ± 1.6 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0464
• Residual factor for significantly intense reflections: 0.0347
• Weighted residual factors for significantly intense reflections: 0.084
• Weighted residual factors for all reflections included in the refinement: 0.0933
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No