Information card for entry 4083268

Structure parameters

• Formula: C50 H53 B Cl Ir N4
• Calculated formula: C50 H53 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: 19.6897 ± 0.0002 Å
• b: 25.1941 ± 0.0003 Å
• c: 17.6879 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8774.34 ± 0.17 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 41
• Hermann-Mauguin space group symbol: A b a 2
• Hall space group symbol: A 2 -2ab
• Residual factor for all reflections: 0.0332
• Residual factor for significantly intense reflections: 0.0237
• Weighted residual factors for significantly intense reflections: 0.0498
• Weighted residual factors for all reflections included in the refinement: 0.0522
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No