Information card for entry 4073214

Structure parameters

• Formula: C46 H73 F5 Fe2
• Calculated formula: C46 H73 F5 Fe2
• SMILES: [Fe]123456789([cH]%10[cH]1[cH]2[cH]3[cH]4%10)[c]1([cH]9[c]8([cH]7[c]6([cH]51)C(C)(C)C)C(C)(C)C)C(C)(C)C.[Fe]123456789([cH]%10[cH]1[cH]2[cH]3[cH]4%10)[c]1([cH]9[c]8([cH]7[c]6([cH]51)C(C)(C)C)C(C)(C)C)C(C)(C)C.F[H][F][H][F-].F[H][F-]
• Title of publication: SF6as a Selective and Reactive Fluorinating Agent for Low-Valent Transition Metal Complexes#
• Authors of publication: Harvey, Benjamin G.; Arif, Atta M.; Glöckner, Andreas; Ernst, Richard D.
• Journal of publication: Organometallics
• Year of publication: 2007
• Journal volume: 26
• Journal issue: 11
• Pages of publication: 2872
• a: 10.6504 ± 0.0002 Å
• b: 14.6996 ± 0.0003 Å
• c: 15.6216 ± 0.0003 Å
• α: 63.313 ± 0.0011°
• β: 81.2757 ± 0.0011°
• γ: 81.5338 ± 0.001°
• Cell volume: 2151.17 ± 0.08 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0834
• Residual factor for significantly intense reflections: 0.0456
• Weighted residual factors for significantly intense reflections: 0.098
• Weighted residual factors for all reflections included in the refinement: 0.1136
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No