Information card for entry 7134455

Structure parameters

• Formula: C64 H36 B F20 Fe4 P Se2
• Calculated formula: C64 H36 B F20 Fe4 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: 13.4185 ± 0.0006 Å
• b: 13.8756 ± 0.0006 Å
• c: 15.8321 ± 0.0007 Å
• α: 100.509 ± 0.002°
• β: 95.382 ± 0.002°
• γ: 92.036 ± 0.002°
• Cell volume: 2881.4 ± 0.2 ų
• Cell temperature: 106 K
• Ambient diffraction temperature: 106 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0339
• Residual factor for significantly intense reflections: 0.0299
• Weighted residual factors for significantly intense reflections: 0.0747
• Weighted residual factors for all reflections included in the refinement: 0.0766
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No