Information card for entry 7134452

Structure parameters

• Formula: C63 H36 B F20 Fe2 P Se2
• Calculated formula: C56 H28 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: 10.8629 ± 0.0008 Å
• b: 15.1456 ± 0.0011 Å
• c: 17.3801 ± 0.001 Å
• α: 71.852 ± 0.002°
• β: 75.728 ± 0.002°
• γ: 87.113 ± 0.003°
• Cell volume: 2632.3 ± 0.3 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.0618
• Residual factor for significantly intense reflections: 0.0441
• Weighted residual factors for significantly intense reflections: 0.1177
• Weighted residual factors for all reflections included in the refinement: 0.1269
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No