Information card for entry 7134451

Structure parameters

• Formula: C56 H28 B F20 Fe2 P S2
• Calculated formula: C56 H28 B F20 Fe2 P S2
• 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: 16.27 ± 0.002 Å
• b: 16.235 ± 0.002 Å
• c: 38.13 ± 0.005 Å
• α: 90°
• β: 98.979 ± 0.006°
• γ: 90°
• Cell volume: 9948 ± 2 ų
• Cell temperature: 102.51 K
• Ambient diffraction temperature: 102.51 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0611
• Residual factor for significantly intense reflections: 0.0489
• Weighted residual factors for significantly intense reflections: 0.1084
• Weighted residual factors for all reflections included in the refinement: 0.1128
• Goodness-of-fit parameter for all reflections included in the refinement: 1.142
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No