Information card for entry 4349315

Structure parameters

• Formula: C8 H11 F9 N4 O2 S2
• Calculated formula: C8 H11 F9 N4 O2 S2
• Title of publication: Synthesis and Characterization of Adducts between SF₄ and Oxygen Bases: Examples of O···S(IV) Chalcogen Bonding.
• Authors of publication: Goettel, James T.; Gerken, Michael
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 23
• Pages of publication: 12441 - 12450
• a: 7.792 ± 0.005 Å
• b: 9.433 ± 0.005 Å
• c: 11.586 ± 0.007 Å
• α: 107.669 ± 0.006°
• β: 103.451 ± 0.006°
• γ: 96.358 ± 0.007°
• Cell volume: 773.9 ± 0.8 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 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: 0.0403
• Residual factor for significantly intense reflections: 0.0327
• Weighted residual factors for significantly intense reflections: 0.0855
• Weighted residual factors for all reflections included in the refinement: 0.0898
• 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