Information card for entry 7044520

Structure parameters

• Formula: C87 H55 B F24 Ir P3
• Calculated formula: C87 H55 B F24 Ir P3
• 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: 13.6373 ± 0.0016 Å
• b: 18.2263 ± 0.0018 Å
• c: 18.3369 ± 0.0019 Å
• α: 109.09 ± 0.003°
• β: 93.332 ± 0.004°
• γ: 102.372 ± 0.004°
• Cell volume: 4166.3 ± 0.8 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.0929
• Residual factor for significantly intense reflections: 0.0751
• Weighted residual factors for all reflections: 0.1987
• Weighted residual factors for significantly intense reflections: 0.182
• Weighted residual factors for all reflections included in the refinement: 0.1986
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No