Information card for entry 7040888

Structure parameters

• Formula: C26 H44 F Fe I N P3
• Calculated formula: C26 H44 F Fe I N P3
• SMILES: C1(=[NH][Fe]([P](C)(C)C)(I)([P](C)(C)C)([P](C)(C)C)c2cccc(c12)F)c1ccc(cc1)C(C)(C)C
• Title of publication: The selective activation of a C-F bond with an auxiliary strong Lewis acid: a method to change the activation preference of C-F and C-H bonds.
• Authors of publication: Wang, Lin; Sun, Hongjian; Li, Xiaoyan; Fuhr, Olaf; Fenske, Dieter
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 45
• Pages of publication: 18133 - 18141
• a: 15.6776 ± 0.0012 Å
• b: 13.167 ± 0.0011 Å
• c: 16.6228 ± 0.0017 Å
• α: 90°
• β: 118.742 ± 0.005°
• γ: 90°
• Cell volume: 3008.6 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 7
• 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: 0.0957
• Residual factor for significantly intense reflections: 0.0624
• Weighted residual factors for significantly intense reflections: 0.1558
• Weighted residual factors for all reflections included in the refinement: 0.1778
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No