Information card for entry 7038425

Structure parameters

• Formula: C22 H19 F2 Fe P
• Calculated formula: C22 H19 F2 Fe P
• SMILES: [Fe]12345678([cH]9[cH]1[cH]2[cH]3[cH]49)[cH]1[cH]8[cH]7[cH]6[c]51P(F)(F)(c1ccccc1)c1ccccc1
• Title of publication: Ferrocenyl-derived electrophilic phosphonium cations (EPCs) as Lewis acid catalysts.
• Authors of publication: Mallov, Ian; Stephan, Douglas W.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 13
• Pages of publication: 5568 - 5574
• a: 8.8422 ± 0.0005 Å
• b: 16.9864 ± 0.001 Å
• c: 11.989 ± 0.0007 Å
• α: 90°
• β: 97.252 ± 0.003°
• γ: 90°
• Cell volume: 1786.31 ± 0.18 ų
• Cell temperature: 149 ± 2 K
• Ambient diffraction temperature: 148.8 K
• Number of distinct elements: 5
• 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: 0.0633
• Residual factor for significantly intense reflections: 0.0418
• Weighted residual factors for significantly intense reflections: 0.1006
• Weighted residual factors for all reflections included in the refinement: 0.113
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0426
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No