Information card for entry 7044524

Structure parameters

• Formula: C87 H73 B F24 Ir P3
• Calculated formula: C87 H73 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: 20.144 ± 0.002 Å
• b: 20.626 ± 0.002 Å
• c: 21.132 ± 0.003 Å
• α: 104.677 ± 0.003°
• β: 100.375 ± 0.003°
• γ: 95.711 ± 0.003°
• Cell volume: 8257 ± 1.6 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: 0.1245
• Residual factor for significantly intense reflections: 0.068
• Weighted residual factors for all reflections: 0.1812
• Weighted residual factors for significantly intense reflections: 0.1435
• Weighted residual factors for all reflections included in the refinement: 0.1801
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0259
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No