Information card for entry 7044526

Structure parameters

• Formula: C105.5 H71 B Cl F24 Ir P4
• Calculated formula: C105.5 H71 B Cl F24 Ir P4
• 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: 12.7542 ± 0.0006 Å
• b: 17.2595 ± 0.0007 Å
• c: 22.2988 ± 0.001 Å
• α: 73.992 ± 0.0015°
• β: 74.3769 ± 0.0018°
• γ: 83.4459 ± 0.0016°
• Cell volume: 4539.8 ± 0.4 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 K
• Number of distinct elements: 7
• 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: 0.0381
• Weighted residual factors for all reflections: 0.0862
• Weighted residual factors for significantly intense reflections: 0.0824
• Weighted residual factors for all reflections included in the refinement: 0.0861
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9832
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No