Information card for entry 7016271

Structure parameters

• Formula: C26 H37 F Fe N P3
• Calculated formula: C26 H37 F Fe N P3
• SMILES: [Fe]12([P](C)(C)C)([P](C)(C)C)([P](C)(C)C)[N](c3c4c1cccc4ccc3)=Cc1c2cccc1F
• 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: 9.6349 ± 0.0011 Å
• b: 10.3933 ± 0.0012 Å
• c: 14.1806 ± 0.0017 Å
• α: 76.894 ± 0.002°
• β: 81.832 ± 0.002°
• γ: 75.707 ± 0.002°
• Cell volume: 1334.6 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0663
• Residual factor for significantly intense reflections: 0.0457
• Weighted residual factors for significantly intense reflections: 0.1217
• Weighted residual factors for all reflections included in the refinement: 0.1426
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No