Information card for entry 7219382

Structure parameters

• Formula: C56 H70 Fe I O2 P3
• Calculated formula: C56 H70 Fe I O2 P3
• Title of publication: Synthesis of [POCOP]-Pincer Iron and Cobalt Complexes via Csp3-H Activation and Catalytic Application of Iron Hydride in Hydrosilylation Reactions
• Authors of publication: huang, shaofeng; zhao, hua; Li, Xiaoyan; wang, lin; Sun, Hongjian
• Journal of publication: RSC Adv.
• Year of publication: 2015
• a: 16.196 ± 0.003 Å
• b: 12.997 ± 0.003 Å
• c: 30.608 ± 0.006 Å
• α: 90°
• β: 97.19 ± 0.03°
• γ: 90°
• Cell volume: 6392 ± 2 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1927
• Residual factor for significantly intense reflections: 0.0847
• Weighted residual factors for significantly intense reflections: 0.2272
• Weighted residual factors for all reflections included in the refinement: 0.3013
• Goodness-of-fit parameter for all reflections included in the refinement: 0.981
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No