Information card for entry 4077463

Structure parameters

• Formula: C15 H15 F3 Fe2 N2 O6 S
• Calculated formula: C15 H15 F3 Fe2 N2 O6 S
• SMILES: [Fe]12([Fe]([S]1C)(C#[O])(C#[O])(C#[O])C(=C2C(F)(F)F)C(=[N+](C)C)N(C)C)(C#[O])(C#[O])C#[O]
• 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: 13.762 ± 0.0013 Å
• b: 9.9905 ± 0.001 Å
• c: 15.0431 ± 0.0015 Å
• α: 90°
• β: 93.064 ± 0.004°
• γ: 90°
• Cell volume: 2065.3 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0617
• Residual factor for significantly intense reflections: 0.0388
• Weighted residual factors for all reflections: 0.112
• Weighted residual factors for significantly intense reflections: 0.1007
• Goodness-of-fit parameter for all reflections: 1.01
• Goodness-of-fit parameter for significantly intense reflections: 1.103
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No