Information card for entry 4083271

Structure parameters

• Formula: C43 H47 B Cl N4 Rh
• Calculated formula: C43 H47 B Cl N4 Rh
• 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: 13.2866 ± 0.0005 Å
• b: 14.6089 ± 0.0004 Å
• c: 18.9761 ± 0.0006 Å
• α: 90°
• β: 95.704 ± 0.001°
• γ: 90°
• Cell volume: 3665.1 ± 0.2 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 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: 0.0762
• Residual factor for significantly intense reflections: 0.0415
• Weighted residual factors for significantly intense reflections: 0.0837
• Weighted residual factors for all reflections included in the refinement: 0.091
• Goodness-of-fit parameter for all reflections included in the refinement: 0.997
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No