Information card for entry 7044523

Structure parameters

• Formula: C80 H59 B F24 Ir P2
• Calculated formula: C80 H59 B F24 Ir P2
• Title of publication: Facile generation of iridium PCcarbeneP pincer complexes via water elimination from an alcohol proligand
• Authors of publication: Sung, Simon; Young, Rowan Drury
• Journal of publication: Dalton Trans.
• Year of publication: 2017
• a: 12.8273 ± 0.0006 Å
• b: 17.8318 ± 0.0008 Å
• c: 18.1429 ± 0.0007 Å
• α: 61.9894 ± 0.0014°
• β: 78.92 ± 0.0014°
• γ: 87.8968 ± 0.0017°
• Cell volume: 3588.6 ± 0.3 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 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: 0.049
• Residual factor for significantly intense reflections: 0.0405
• Weighted residual factors for all reflections: 0.0891
• Weighted residual factors for significantly intense reflections: 0.086
• Weighted residual factors for all reflections included in the refinement: 0.0891
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0409
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No