Information card for entry 4081836

Structure parameters

• Formula: C28 H34 F6 N2 P Rh
• Calculated formula: C28 H34 F6 N2 P Rh
• SMILES: c12ccccc1[C@H]1CC[C@H](c3ccccc3)[NH]1[Rh]13452([c]2([c]1([c]3([c]4([c]52C)C)C)C)C)[N]#CC.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Cyclometalation of (2R,5R)-2,5-Diphenylpyrrolidine and 2-Phenyl-2-imidazoline Ligands with Half-Sandwich Iridium(III) and Rhodium(III) Complexes
• Authors of publication: Féghali, Elias; Barloy, Laurent; Issenhuth, Jean-Thomas; Karmazin-Brelot, Lydia; Bailly, Corinne; Pfeffer, Michel
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 21
• Pages of publication: 6186
• a: 14.8149 ± 0.0014 Å
• b: 11.5322 ± 0.0013 Å
• c: 17.1881 ± 0.0013 Å
• α: 90°
• β: 107.475 ± 0.002°
• γ: 90°
• Cell volume: 2801 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1161
• Residual factor for significantly intense reflections: 0.0496
• Weighted residual factors for significantly intense reflections: 0.0802
• Weighted residual factors for all reflections included in the refinement: 0.0962
• Goodness-of-fit parameter for all reflections included in the refinement: 0.952
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No