Information card for entry 4077462

Structure parameters

• Formula: C15 H13 F3 Fe2 N2 O6 S
• Calculated formula: C15 H13 F3 Fe2 N2 O6 S
• Title of publication: Carbon−Fluorine Bond Cleavages and Organoiron Ring Transformations: Reaction of a Perfluorosulfanylvinyldiiron(I) Complex with Amines
• Authors of publication: Guennou-de Cadenet, Karine; Rumin, René; Pétillon, François Y.; Muir, Kenneth W.
• Journal of publication: Organometallics
• Year of publication: 2000
• Journal volume: 19
• Journal issue: 10
• Pages of publication: 1912
• a: 8.083 ± 0.0008 Å
• b: 15.5721 ± 0.0012 Å
• c: 8.617 ± 0.0005 Å
• α: 90°
• β: 116.66 ± 0.006°
• γ: 90°
• Cell volume: 969.3 ± 0.14 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 7
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0433
• Residual factor for significantly intense reflections: 0.0335
• Weighted residual factors for significantly intense reflections: 0.081
• Weighted residual factors for all reflections included in the refinement: 0.0847
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No