Information card for entry 7000370

Structure parameters

• Formula: C47 H32 B F24 Ir N4
• Calculated formula: C47 H32 B F24 Ir N4
• 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: 14.9389 ± 0.0003 Å
• b: 15.8085 ± 0.0002 Å
• c: 20.8606 ± 0.0004 Å
• α: 107.512 ± 0.001°
• β: 92.128 ± 0.001°
• γ: 91.166 ± 0.001°
• Cell volume: 4692.34 ± 0.15 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: 0.0718
• Residual factor for significantly intense reflections: 0.0491
• Weighted residual factors for significantly intense reflections: 0.1305
• Weighted residual factors for all reflections included in the refinement: 0.1399
• Goodness-of-fit parameter for all reflections included in the refinement: 1.105
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No