Information card for entry 7232890

Structure parameters

• Formula: C24 H15 O4 S12
• Calculated formula: C24 H15 O4 S12
• Title of publication: Pressure-induced hydrogen localization coupled to a semiconductor‒insulator transition in a hydrogen-bonded molecular conductor
• Authors of publication: Ueda, Akira; Kishimoto, Kouki; Isono, Takayuki; Yamada, Shota; Kamo, Hiromichi; Kobayashi, Kensuke; Kumai, Reiji; Murakami, Youichi; Gouchi, Jun; Uwatoko, Yoshiya; Nishio, Yutaka; Mori, Hatsumi
• Journal of publication: RSC Advances
• Year of publication: 2019
• Journal volume: 9
• Journal issue: 32
• Pages of publication: 18353
• a: 29.348 ± 0.003 Å
• b: 8.4654 ± 0.0003 Å
• c: 11.2565 ± 0.0004 Å
• α: 90°
• β: 100.911 ± 0.006°
• γ: 90°
• Cell volume: 2746 ± 0.3 ų
• Cell temperature: 270 K
• Ambient diffraction temperature: 270 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0615
• Residual factor for significantly intense reflections: 0.0546
• Weighted residual factors for significantly intense reflections: 0.1419
• Weighted residual factors for all reflections included in the refinement: 0.1461
• Goodness-of-fit parameter for all reflections included in the refinement: 0.974
• Diffraction radiation wavelength: 1 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No