Information card for entry 7232891

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: 29.35 ± 0.02 Å
• b: 8.45 ± 0.006 Å
• c: 11.225 ± 0.009 Å
• α: 90°
• β: 101.005 ± 0.011°
• γ: 90°
• Cell volume: 2733 ± 3 ų
• Cell temperature: 235 K
• Ambient diffraction temperature: 235 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: 0.1204
• Residual factor for significantly intense reflections: 0.0705
• Weighted residual factors for significantly intense reflections: 0.1567
• Weighted residual factors for all reflections included in the refinement: 0.188
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No