Information card for entry 7021012

Structure parameters

• Common name: Anilinium tetrathiafulvalene-2-carboxylate
• Chemical name: Anilinium tetrathiafulvalene-2-carboxylate
• Formula: C13 H11 N O2 S4
• Calculated formula: C13 H11 N O2 S4
• Title of publication: Ionic semiconductor: DC and AC conductivity of anilinium tetrathiafulvalene-2-carboxylate.
• Authors of publication: Kobayashi, Yuka; Sumi, Satoshi; Terauchi, Takeshi; Hashizume, Daisuke
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 11
• Pages of publication: 3821 - 3826
• a: 8.9395 ± 0.0002 Å
• b: 6.3387 ± 0.0001 Å
• c: 26.9154 ± 0.0006 Å
• α: 90°
• β: 96.838 ± 0.001°
• γ: 90°
• Cell volume: 1514.31 ± 0.05 ų
• Cell temperature: 300 K
• Ambient diffraction temperature: 300 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.05219
• RFsqd: 0.05248
• Residual factor R(I) for significantly intense reflections: 0.05539
• Goodness-of-fit parameter for all reflections: 2.0215
• Method of determination: powder diffraction
• Diffraction radiation wavelength: 1.3038 Å
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No