Information card for entry 7016472

Structure parameters

• Formula: C29 H38 F6 N4 P Rh
• Calculated formula: C29 H38 F6 N4 P Rh
• SMILES: c1cccc2CN3C=4N([C@]5(C([C@@H]3CC5)(C)C)C)Cc3cccc[n]3[Rh]3564([CH]4=[CH]3CC[CH]5=[CH]6CC4)[n]12.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Rhodium and iridium complexes of an asymmetric bicyclic NHC bearing secondary pyridyl donors.
• Authors of publication: Newman, Paul D.; Cavell, Kingsley J.; Hallett, Andrew J.; Kariuki, Benson M.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 35
• Pages of publication: 8807 - 8813
• a: 11.9244 ± 0.0005 Å
• b: 14.2882 ± 0.0003 Å
• c: 16.8801 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2876 ± 0.17 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0925
• Residual factor for significantly intense reflections: 0.079
• Weighted residual factors for significantly intense reflections: 0.1765
• Weighted residual factors for all reflections included in the refinement: 0.1884
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No