Information card for entry 7016272

Structure parameters

• Formula: C40 H40 F2 Fe N2 P2
• Calculated formula: C40 H40 F2 Fe N2 P2
• SMILES: c12c(c(ccc1)F)[CH]1[Fe]3([CH](c4c2cccc4F)=[N]3c2cccc3ccccc23)([N]=1c1cccc2ccccc12)([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: 10.564 ± 0.002 Å
• b: 23.134 ± 0.005 Å
• c: 14.585 ± 0.003 Å
• α: 90°
• β: 90.696 ± 0.004°
• γ: 90°
• Cell volume: 3564.1 ± 1.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0977
• Residual factor for significantly intense reflections: 0.0434
• Weighted residual factors for significantly intense reflections: 0.072
• Weighted residual factors for all reflections included in the refinement: 0.0851
• Goodness-of-fit parameter for all reflections included in the refinement: 0.757
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No