Information card for entry 7000372

Structure parameters

• Formula: C43 H24 B F24 Ir N4 O2
• Calculated formula: C43 H24 B F24 Ir N4 O2
• Title of publication: Weakly coordinating counter-ions for highly efficient catalysis of intramolecular hydroamination
• Authors of publication: Dabb, Serin L.; Ho, Joanne H. H.; Hodgson, Richard; Messerle, Barbara A.; Wagler, Jörg
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 4
• Pages of publication: 634
• a: 12.4056 ± 0.0001 Å
• b: 24.5181 ± 0.0003 Å
• c: 16.1804 ± 0.0002 Å
• α: 90°
• β: 111.584 ± 0.001°
• γ: 90°
• Cell volume: 4576.36 ± 0.09 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• 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: 0.065
• Residual factor for significantly intense reflections: 0.047
• Weighted residual factors for significantly intense reflections: 0.1225
• Weighted residual factors for all reflections included in the refinement: 0.1306
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No