Information card for entry 4118100

Structure parameters

• Formula: C6 F N2 O S4
• Calculated formula: C6 F N2 O S4
• Title of publication: Crossing the Insulator-to-Metal Barrier with a Thiazyl Radical Conductor
• Authors of publication: Aaron Mailman; Stephen M. Winter; Xin Yu; Craig M. Robertson; Wenjun Yong; John S. Tse; Richard A. Secco; Zhenxian Liu; Paul A. Dube; Judith A. K. Howard; Richard T. Oakley
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2012
• Journal volume: 134
• Pages of publication: 9886 - 9889
• a: 6.301 ± 0.0013 Å
• b: 7.921 ± 0.0016 Å
• c: 15.916 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 794.4 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 36
• Hermann-Mauguin space group symbol: C m c 21
• Hall space group symbol: C 2c -2
• Residual factor for all reflections: 0.054
• Residual factor for significantly intense reflections: 0.0534
• Weighted residual factors for significantly intense reflections: 0.1253
• Weighted residual factors for all reflections included in the refinement: 0.1258
• Goodness-of-fit parameter for all reflections included in the refinement: 1.16
• Diffraction radiation wavelength: 0.6889 Å
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No