Information card for entry 4107918

Structure parameters

• Formula: C43.19 H26.37 Cl0.37 F15 Ir N6
• Calculated formula: C43.185 H26.37 Cl0.37 F15 Ir N6
• Title of publication: Iridium Corroles
• Authors of publication: Joshua H. Palmer; Michael W. Day; Aaron D. Wilson; Lawrence M. Henling; Zeev Gross; Harry B. Gray
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2008
• Journal volume: 130
• Pages of publication: 7786 - 7787
• a: 8.1456 ± 0.0004 Å
• b: 13.1188 ± 0.0006 Å
• c: 19.8366 ± 0.0008 Å
• α: 80.628 ± 0.003°
• β: 80.543 ± 0.003°
• γ: 89.488 ± 0.003°
• Cell volume: 2062.68 ± 0.16 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0458
• Residual factor for significantly intense reflections: 0.033
• Weighted residual factors for significantly intense reflections: 0.0548
• Weighted residual factors for all reflections included in the refinement: 0.0561
• Goodness-of-fit parameter for all reflections included in the refinement: 1.818
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No