Information card for entry 7134453

Structure parameters

• Formula: C57 H28 B Cl2 F20 Fe2 P Se2
• Calculated formula: C56 H26 B F20 Fe2 P Se2
• Title of publication: Oxidative addition of diaryldichalcogenides to the diferrocenylphosphenium ion: synthesis, structure and organocatalytic activity
• Authors of publication: Stoian, Corina; Schmidt, Nils; Kuczmera, Thomas J.; Puylaert, Pim; Lork, Enno; Nachtsheim, Boris J.; Hupf, Emanuel; Beckmann, Jens
• Journal of publication: Chemical Communications
• Year of publication: 2025
• Journal volume: 61
• Journal issue: 45
• Pages of publication: 8256 - 8259
• a: 16.326 ± 0.004 Å
• b: 9.99 ± 0.002 Å
• c: 32.781 ± 0.007 Å
• α: 90°
• β: 98.502 ± 0.009°
• γ: 90°
• Cell volume: 5288 ± 2 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 8
• 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: 0.0562
• Residual factor for significantly intense reflections: 0.0446
• Weighted residual factors for significantly intense reflections: 0.1195
• Weighted residual factors for all reflections included in the refinement: 0.1266
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No