Information card for entry 7038426

Structure parameters

• Formula: C46 H19 B F21 Fe P
• Calculated formula: C46 H19 B F21 Fe P
• SMILES: Fc1c(F)c(F)c(c(F)c1F)[B-](c1c(F)c(F)c(F)c(F)c1F)(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F.[Fe]12345678([c]9([P+](F)(c%10ccccc%10)c%10ccccc%10)[cH]6[cH]5[cH]7[cH]89)[cH]5[cH]4[cH]3[cH]2[cH]15
• 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: 13.6165 ± 0.0013 Å
• b: 15.8962 ± 0.0016 Å
• c: 22.542 ± 0.002 Å
• α: 90°
• β: 122.611 ± 0.006°
• γ: 90°
• Cell volume: 4110 ± 0.7 ų
• Cell temperature: 149 ± 2 K
• Ambient diffraction temperature: 149 ± 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: 0.2255
• Residual factor for significantly intense reflections: 0.0641
• Weighted residual factors for significantly intense reflections: 0.0739
• Weighted residual factors for all reflections included in the refinement: 0.1056
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9751
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No