Information card for entry 4071325

Structure parameters

• Formula: C18 H13 Cl F3 Ir N2 O2
• Calculated formula: C18 H13 Cl F3 Ir N2 O2
• SMILES: [Ir](c1c(C)[n+]2ccccc2n1Cc1ccc(C(F)(F)F)cc1)(C#[O])(C#[O])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: 14.2118 ± 0.0006 Å
• b: 8.7062 ± 0.0003 Å
• c: 15.8811 ± 0.0006 Å
• α: 90°
• β: 110.789 ± 0.002°
• γ: 90°
• Cell volume: 1837.05 ± 0.12 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0365
• Residual factor for significantly intense reflections: 0.0287
• Weighted residual factors for significantly intense reflections: 0.0718
• Weighted residual factors for all reflections included in the refinement: 0.0766
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No