Information card for entry 4071821

Structure parameters

• Formula: C34 H43 F6 N3 O P Rh
• Calculated formula: C34 H43 F6 N3 O P Rh
• SMILES: [Rh]1234([n]5cccc6cccc(c56)CN5C=CN(C=15)c1c(C)cc(C)cc1C)[CH]1=[CH]2CC[CH]3=[CH]4CC1.CCOCC.[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: 11.2937 ± 0.0003 Å
• b: 27.1335 ± 0.0008 Å
• c: 11.4634 ± 0.0003 Å
• α: 90°
• β: 105.052 ± 0.001°
• γ: 90°
• Cell volume: 3392.29 ± 0.16 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• 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: 0.0487
• Residual factor for significantly intense reflections: 0.0361
• Weighted residual factors for significantly intense reflections: 0.09
• Weighted residual factors for all reflections included in the refinement: 0.1024
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No