Information card for entry 4129559

Structure parameters

• Common name: PhBBO
• Formula: C12 H5 N2 O S4
• Calculated formula: C12 H5 N2 O S4
• Title of publication: The metallic state in neutral radical conductors: dimensionality, pressure and multiple orbital effects.
• Authors of publication: Tian, Di; Winter, Stephen M.; Mailman, Aaron; Wong, Joanne W. L.; Yong, Wenjun; Yamaguchi, Hiroshi; Jia, Yating; Tse, John S.; Desgreniers, Serge; Secco, Richard A.; Julian, Stephen R.; Jin, Changqing; Mito, Masaki; Ohishi, Yasuo; Oakley, Richard T.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2015
• Journal volume: 137
• Journal issue: 44
• Pages of publication: 14136 - 14148
• a: 5.71784 ± 0.00018 Å
• b: 10.6889 ± 0.0006 Å
• c: 14.4886 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 885.51 ± 0.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• RFsqd: 0.12976
• Goodness-of-fit parameter for all reflections: 0.78
• Method of determination: powder diffraction
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.41244 Å
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No