Information card for entry 7111742

Structure parameters

• Formula: C7 H6 F6 N3 O S4 Sb
• Calculated formula: C7 H6 F6 N3 O S4 Sb
• Title of publication: Thermal conversion of a pyridine-bridged bisdithiazolyl radical to a zwitterionic bisdithiazolopyridone
• Authors of publication: Winter, Stephen M.; Roberts, Ryan J.; Mailman, Aaron; Cvrkalj, Kristina; Assoud, Abdeljalil; Oakley, Richard T.
• Journal of publication: Chemical Communications
• Year of publication: 2010
• Journal volume: 46
• Journal issue: 25
• Pages of publication: 4496 - 4498
• a: 8.4861 ± 0.0004 Å
• b: 13.7971 ± 0.0007 Å
• c: 13.1136 ± 0.0007 Å
• α: 90°
• β: 95.3 ± 0.001°
• γ: 90°
• Cell volume: 1528.82 ± 0.13 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0526
• Residual factor for significantly intense reflections: 0.0444
• Weighted residual factors for significantly intense reflections: 0.0994
• Weighted residual factors for all reflections included in the refinement: 0.1033
• Goodness-of-fit parameter for all reflections included in the refinement: 1.521
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No