Information card for entry 4070856

Structure parameters

• Formula: C19 H16 F4 Ir N O3
• Calculated formula: C20 H16 F4 Ir N O3
• Title of publication: Reaction of Cp*Ir(CO)2with Activated Perfluoroaromatic Compounds: Formation of Metallocarboxylic Acids via Aromatic Nucleophilic Substitution
• Authors of publication: Ke Chan, Pek; Kee Leong, Weng
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 6
• Pages of publication: 1247
• a: 13.3143 ± 0.0008 Å
• b: 8.8432 ± 0.0006 Å
• c: 16.7447 ± 0.001 Å
• α: 90°
• β: 108.601 ± 0.003°
• γ: 90°
• Cell volume: 1868.6 ± 0.2 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 K
• Number of distinct elements: 6
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.0386
• Residual factor for significantly intense reflections: 0.0346
• Weighted residual factors for significantly intense reflections: 0.0719
• Weighted residual factors for all reflections included in the refinement: 0.0737
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No