Information card for entry 4306552

Structure parameters

• Formula: C7 H4 F3 N O3 S2 Te
• Calculated formula: C7 H4 F3 N O3 S2 Te
• SMILES: c12ccccc2N=[Te+]S1.C(F)(F)(S(=O)(=O)[O-])F
• Title of publication: Heavy Atom Analogues of 1,2,3-Dithiazolylium Salts: Preparation, Structures and Redox Chemistry
• Authors of publication: Maarit Risto; Abdeljalil Assoud; Stephen M. Winter; Raija Oilunkaniemi; Risto S. Laitinen; Richard T. Oakley
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 10100 - 10109
• a: 12.0892 ± 0.0005 Å
• b: 12.0493 ± 0.0005 Å
• c: 7.9429 ± 0.0003 Å
• α: 90°
• β: 90.793 ± 0.001°
• γ: 90°
• Cell volume: 1156.9 ± 0.08 ų
• Cell temperature: 290 ± 2 K
• Ambient diffraction temperature: 290 ± 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: 0.0361
• Residual factor for significantly intense reflections: 0.0284
• Weighted residual factors for significantly intense reflections: 0.0738
• Weighted residual factors for all reflections included in the refinement: 0.1052
• Goodness-of-fit parameter for all reflections included in the refinement: 1.249
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No