Information card for entry 7000375

Structure parameters

• Formula: C69 H49 B F24 Ir N2 P
• Calculated formula: C69 H49 B F24 Ir N2 P
• 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: 12.5044 ± 0.0003 Å
• b: 35.3357 ± 0.0009 Å
• c: 14.8836 ± 0.0004 Å
• α: 90°
• β: 100.956 ± 0.001°
• γ: 90°
• Cell volume: 6456.5 ± 0.3 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: 0.0346
• Residual factor for significantly intense reflections: 0.0254
• Weighted residual factors for significantly intense reflections: 0.0552
• Weighted residual factors for all reflections included in the refinement: 0.0574
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No