Information card for entry 4120507

Structure parameters

• Common name: HBBO
• Formula: C6 H N2 O S4
• Calculated formula: C6 H N2 O S4
• Title of publication: Pressure induced phase transitions and metallization of a neutral radical conductor.
• Authors of publication: Wong, Joanne W. L.; Mailman, Aaron; Lekin, Kristina; Winter, Stephen M.; Yong, Wenjun; Zhao, Jianbao; Garimella, Subrahmanyam V.; Tse, John S.; Secco, Richard A.; Desgreniers, Serge; Ohishi, Yasuo; Borondics, Ferenc; Oakley, Richard T.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2014
• Journal volume: 136
• Journal issue: 3
• Pages of publication: 1070 - 1081
• a: 13.0632 ± 0.0024 Å
• b: 14.9449 ± 0.0033 Å
• c: 3.02303 ± 0.00028 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 590.18 ± 0.18 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P b n 21
• Hall space group symbol: P 2c -2ab
• RFsqd: 0.46085
• Goodness-of-fit parameter for all reflections: 1.99
• Method of determination: powder diffraction
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.41337 Å
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No