Information card for entry 7016273

Structure parameters

• Formula: C32 H30 F8 Fe N2 P2
• Calculated formula: C32 H30 F8 Fe N2 P2
• SMILES: [Fe]12([P](C)(C)C)([P](C)(C)C)([N](c3ccccc3)=Cc3c1c(F)c(F)c(F)c3F)[N](=Cc1c2c(F)c(F)c(F)c1F)c1ccccc1
• Title of publication: Imine-assisted C-F bond activation by electron-rich iron complexes supported by trimethylphosphine.
• Authors of publication: Xu, Xiaofeng; Sun, Hongjian; Shi, Yujie; Jia, Jiong; Li, Xiaoyan
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 31
• Pages of publication: 7866 - 7872
• a: 9.6956 ± 0.0014 Å
• b: 9.9219 ± 0.0014 Å
• c: 16.955 ± 0.002 Å
• α: 90.243 ± 0.002°
• β: 91.242 ± 0.002°
• γ: 106.088 ± 0.002°
• Cell volume: 1566.7 ± 0.4 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0992
• Residual factor for significantly intense reflections: 0.0481
• Weighted residual factors for significantly intense reflections: 0.1044
• Weighted residual factors for all reflections included in the refinement: 0.1259
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No