Information card for entry 4071326

Structure parameters

• Formula: C24 H25 Cl F3 N2 Rh
• Calculated formula: C24 H25 Cl F3 N2 Rh
• SMILES: [Rh]123([CH]4=[CH]1CC[CH]2=[CH]3CC4)(c1c(C)[n+]2ccccc2n1Cc1ccc(C(F)(F)F)cc1)Cl
• Title of publication: Rhodium and Iridium Complexes of Abnormal N-Heterocyclic Carbenes Derived from Imidazo[1,2-a]pyridine
• Authors of publication: Song, Guoyong; Zhang, Yao; Li, Xingwei
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 8
• Pages of publication: 1936
• a: 11.7872 ± 0.0004 Å
• b: 16.2148 ± 0.0006 Å
• c: 11.9178 ± 0.0004 Å
• α: 90°
• β: 102.218 ± 0.002°
• γ: 90°
• Cell volume: 2226.22 ± 0.14 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 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: 0.0645
• Residual factor for significantly intense reflections: 0.0555
• Weighted residual factors for significantly intense reflections: 0.1457
• Weighted residual factors for all reflections included in the refinement: 0.1528
• Goodness-of-fit parameter for all reflections included in the refinement: 1.194
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No