Information card for entry 7016274

Structure parameters

• Formula: C24 H34 F6 Fe N4 P2
• Calculated formula: C24 H34 F6 Fe N4 P2
• SMILES: [Fe]12([N](=Cc3c(F)c(F)c(NC)c(F)c13)C)([N](=Cc1c(F)c(F)c(NC)c(F)c21)C)([P](C)(C)C)[P](C)(C)C
• 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: 10.4588 ± 0.001 Å
• b: 11.1141 ± 0.001 Å
• c: 14.4844 ± 0.0013 Å
• α: 96.805 ± 0.001°
• β: 93.337 ± 0.001°
• γ: 110.731 ± 0.001°
• Cell volume: 1554.4 ± 0.2 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: 0.0369
• Residual factor for significantly intense reflections: 0.0315
• Weighted residual factors for significantly intense reflections: 0.0908
• Weighted residual factors for all reflections included in the refinement: 0.0941
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No