Information card for entry 7040889

Structure parameters

• Formula: C25 H44 B Cl0 F6 Fe N O0 P4
• Calculated formula: C25 H44 B F6 Fe N P4
• SMILES: [Fe]1([P](C)(C)C)([P](C)(C)C)([P](C)(C)C)([P](C)(C)C)[NH]=C(c2c(F)cccc2F)c2c1cccc2.[B](F)(F)(F)[F-]
• 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: 11.7534 ± 0.001 Å
• b: 19.4894 ± 0.0016 Å
• c: 14.8134 ± 0.0012 Å
• α: 90°
• β: 93.766 ± 0.001°
• γ: 90°
• Cell volume: 3385.9 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 9
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0456
• Residual factor for significantly intense reflections: 0.0352
• Weighted residual factors for significantly intense reflections: 0.1014
• Weighted residual factors for all reflections included in the refinement: 0.1135
• Goodness-of-fit parameter for all reflections included in the refinement: 0.541
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No