Information card for entry 4083592

Structure parameters

• Formula: C25 H22 F3 N4 O3 S
• Calculated formula: C25 H22 F3 N4 O3 S
• Title of publication: Novel Rhodium and Iridium Complexes Coordinated toC3-Symmetric Tris-NHC Ligands Based on a 1,3,5-Triphenylbenzene Core. Electronic and Catalytic Properties
• Authors of publication: Mejuto, Carmen; Guisado-Barrios, Gregorio; Peris, Eduardo
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 12
• Pages of publication: 3205
• a: 34.2772 ± 0.0014 Å
• b: 34.2772 ± 0.0014 Å
• c: 14.1208 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 14368.1 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.093
• Residual factor for significantly intense reflections: 0.0765
• Weighted residual factors for significantly intense reflections: 0.2461
• Weighted residual factors for all reflections included in the refinement: 0.2626
• Goodness-of-fit parameter for all reflections included in the refinement: 1.113
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No