Information card for entry 4125781

Structure parameters

• Formula: C6 N2 O2 S4
• Calculated formula: C6 N2 O2 S4
• Title of publication: The Power of Packing: Metallization of an Organic Semiconductor.
• Authors of publication: Mailman, Aaron; Leitch, Alicea A.; Yong, Wenjun; Steven, Eden; Winter, Stephen M.; Claridge, Robert C. M.; Assoud, Abdeljalil; Tse, John S.; Desgreniers, Serge; Secco, Richard A.; Oakley, Richard T.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2017
• Journal volume: 139
• Journal issue: 6
• Pages of publication: 2180 - 2183
• a: 6.3278 ± 0.0015 Å
• b: 7.8999 ± 0.0019 Å
• c: 15.744 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 787 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• 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: 0.0368
• Residual factor for significantly intense reflections: 0.033
• Weighted residual factors for significantly intense reflections: 0.0758
• Weighted residual factors for all reflections included in the refinement: 0.0952
• Goodness-of-fit parameter for all reflections included in the refinement: 1.181
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No