Information card for entry 7239491

Structure parameters

• Formula: C7 H7 N O2 S4
• Calculated formula: C7 H7 N O2 S4
• Title of publication: Room-temperature proton transport and its effect on thermopower in a solid ionic semiconductor, TTFCOONH4
• Authors of publication: Kobayashi, Yuka; Fujii, Takenori; Terasaki, Ichiro; Kino, Hiori; Jin, Yongcheng; Hibino, Takashi; Kobayashi, Tetsuya; Nishibori, Eiji; Sawa, Hiroshi; Yoshikawa, Hideki; Terauchi, Takeshi; Sumi, Satoshi
• Journal of publication: Journal of Materials Chemistry A
• Year of publication: 2013
• Journal volume: 1
• Journal issue: 16
• Pages of publication: 5089
• a: 6.2395 ± 0.0001 Å
• b: 3.9925 ± 0.0001 Å
• c: 40.3716 ± 0.0007 Å
• α: 90°
• β: 90.8189 ± 0.0012°
• γ: 90°
• Cell volume: 1005.6 ± 0.03 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 90 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor R(I) for significantly intense reflections: 0.058
• Method of determination: powder diffraction
• Diffraction radiation wavelength: 0.9468 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No