Information card for entry 4088533

Structure parameters

• Formula: C26 H24 Cl2 Co Fe N O P
• Calculated formula: C26 H24 Cl2 Co Fe N O P
• SMILES: [Co]1([P]([c]23[Fe]456789%10([cH]%11[cH]4[cH]5[cH]6[cH]7%11)[cH]2[cH]8[cH]9[c]3%10C2=[N]1[C@@H](CO2)C)(c1ccccc1)c1ccccc1)(Cl)Cl
• Title of publication: Cobalt-Catalyzed Borylation of Aryl Halides and Pseudohalides
• Authors of publication: Yao, Wubing; Fang, Huaquan; Peng, Sihan; Wen, Huanan; Zhang, Lei; Hu, Aiguo; Huang, Zheng
• Journal of publication: Organometallics
• Year of publication: 2016
• Journal volume: 35
• Journal issue: 10
• Pages of publication: 1559
• a: 10.9345 ± 0.0015 Å
• b: 14.2498 ± 0.0019 Å
• c: 16.503 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2571.4 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 8
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0503
• Residual factor for significantly intense reflections: 0.0445
• Weighted residual factors for significantly intense reflections: 0.0926
• Weighted residual factors for all reflections included in the refinement: 0.0947
• Goodness-of-fit parameter for all reflections included in the refinement: 1.097
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No