Information card for entry 7057623

Structure parameters

• Formula: C23 H27 Co F2 I N P2
• Calculated formula: C23 H27 Co F2 I N P2
• Title of publication: Preparation of hydrido [CNC]-pincer cobalt complexes via selective C‒H/C‒F bond activation and their catalytic performances
• Authors of publication: Yang, Fei; Wang, Yangyang; Lu, Faguan; Xie, Shangqing; Qi, Xinghao; Sun, Hongjian; Li, Xiaoyan; Fuhr, Olaf; Fenske, Dieter
• Journal of publication: New Journal of Chemistry
• Year of publication: 2018
• Journal volume: 42
• Journal issue: 19
• Pages of publication: 15578
• a: 16.6 ± 0.002 Å
• b: 15.531 ± 0.002 Å
• c: 19.029 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4906 ± 1.2 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0961
• Residual factor for significantly intense reflections: 0.0497
• Weighted residual factors for significantly intense reflections: 0.1171
• Weighted residual factors for all reflections included in the refinement: 0.1345
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No