Information card for entry 1552252

Structure parameters

• Formula: C63 H65 B F24 Ir N P2
• Calculated formula: C63 H65 B F24 Ir N P2
• Title of publication: Electrochemical C‒H Bond Activation via Cationic Iridium Hydride Pincer Complexes
• Authors of publication: Lindley, Brian; Walden, Andrew G.; Brasacchio, Ann Marie; Casuras, Andrea; Lease, Nicholas; Chen, Chun-Hsing; Goldman, Alan S.; Miller, Alexander James Minden
• Journal of publication: Chemical Science
• Year of publication: 2019
• a: 13.4206 ± 0.0009 Å
• b: 13.4206 ± 0.0009 Å
• c: 35.17 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6334.6 ± 0.8 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 7
• Space group number: 92
• Hermann-Mauguin space group symbol: P 41 21 2
• Hall space group symbol: P 4abw 2nw
• Residual factor for all reflections: 0.0727
• Residual factor for significantly intense reflections: 0.0564
• Weighted residual factors for all reflections: 0.1381
• Weighted residual factors for significantly intense reflections: 0.132
• Weighted residual factors for all reflections included in the refinement: 0.1381
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9586
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No