Information card for entry 4083266

Structure parameters

• Formula: C43 H47 B Cl Ir N4
• Calculated formula: C43 H47 B Cl Ir N4
• Title of publication: Iridium(III) Cp* Complexes for the Efficient Hydroamination of Internal Alkynes
• Authors of publication: Gray, Katherine; Page, Michael J.; Wagler, Jörg; Messerle, Barbara A.
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 17
• Pages of publication: 6270
• a: 13.338 ± 0.0002 Å
• b: 14.6435 ± 0.0002 Å
• c: 18.9118 ± 0.0003 Å
• α: 90°
• β: 95.442 ± 0.001°
• γ: 90°
• Cell volume: 3677.11 ± 0.09 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.0491
• Residual factor for significantly intense reflections: 0.0336
• Weighted residual factors for significantly intense reflections: 0.0698
• Weighted residual factors for all reflections included in the refinement: 0.0736
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No