Information card for entry 7110970

Structure parameters

• Formula: C28 H43 F6 N2 P Ru
• Calculated formula: C28 H43 F6 N2 P Ru
• SMILES: [Ru]1234567([N](=C(N1C(C)(C)C)c1ccccc1)C(C)(C)C)([c]1([c]5([c]4([c]3([c]21C)C)C)C)C)[CH2]=[CH]6C7.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: The first organoruthenium(iv) complexes containing nitrogen donor ligands by oxidative addition of allylic substrates to coordinatively unsaturated Ru(ii) complexes
• Authors of publication: Kondo, Hideo; Yamaguchi, Yoshitaka; Nagashima, Hideo
• Journal of publication: Chemical Communications
• Year of publication: 2000
• Journal issue: 12
• Pages of publication: 1075
• a: 31.771 ± 0.006 Å
• b: 14.038 ± 0.004 Å
• c: 13.366 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5961 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0917
• Residual factor for significantly intense reflections: 0.0492
• Weighted residual factors for significantly intense reflections: 0.1418
• Weighted residual factors for all reflections included in the refinement: 0.162
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No