Information card for entry 4071819

Structure parameters

• Formula: C52 H54 F6 N6 P Rh
• Calculated formula: C52 H54 F6 N6 P Rh
• SMILES: [Rh]123(=C4N(C=CN4Cc4cccc5c4nccc5)c4c(C)cc(C)cc4C)(=C4N(C=CN4Cc4cccc5c4nccc5)c4c(C)cc(C)cc4C)[CH]4CC[CH]1=[CH]2CC[CH]3=4.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Quinoline-Tethered N-Heterocyclic Carbene Complexes of Rhodium and Iridium: Synthesis, Catalysis, and Electrochemical Properties
• Authors of publication: Peng, Hong Mei; Webster, Richard D.; Li, Xingwei
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 17
• Pages of publication: 4484
• a: 17.9389 ± 0.0006 Å
• b: 15.8145 ± 0.0007 Å
• c: 18.7496 ± 0.0005 Å
• α: 90°
• β: 117.49 ± 0.002°
• γ: 90°
• Cell volume: 4718.6 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• 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: 0.0848
• Residual factor for significantly intense reflections: 0.0664
• Weighted residual factors for significantly intense reflections: 0.175
• Weighted residual factors for all reflections included in the refinement: 0.1974
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No