Information card for entry 7134507

Structure parameters

• Formula: C31 H20 Fe2 O6 P2 S2
• Calculated formula: C31 H20 Fe2 O6 P2 S2
• Title of publication: Freed from iron: easy release of a stable ketene from the reaction of CO with di-iron bis-μ2-alkylidenes
• Authors of publication: Munshi, Sandip; Ravel-Massol, Raphaël; Garcia-Serres, Ricardo; Suaud, Nicolas; Maurice, Rémi; Saffon-Merceron, Nathalie; Mézailles, Nicolas; Fustier-Boutignon, Marie
• Journal of publication: Chemical Communications
• Year of publication: 2025
• Journal volume: 61
• Journal issue: 48
• Pages of publication: 8687 - 8690
• a: 12.259 ± 0.003 Å
• b: 15.825 ± 0.003 Å
• c: 16.51 ± 0.004 Å
• α: 86.072 ± 0.005°
• β: 71.586 ± 0.005°
• γ: 89.707 ± 0.005°
• Cell volume: 3031.3 ± 1.2 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1648
• Residual factor for significantly intense reflections: 0.0823
• Weighted residual factors for significantly intense reflections: 0.1606
• Weighted residual factors for all reflections included in the refinement: 0.1938
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No