Information card for entry 2004477

Structure parameters

• Common name: C1TET-TTF
• Chemical name: bis(methylthio)ethylenedithiotetrathiafulvalene
• Formula: C10 H10 S8
• Calculated formula: C10 H10 S8
• SMILES: CSC1=C(SC)SC(=C2SC3=C(S2)SCCS3)S1
• Title of publication: Bis(methylthio)ethylenedithiotetrathiafulvalene
• Authors of publication: Zhang, B.; Li, Y.-L.; Han, H.-X.; Yang, J.-K.; Zhu, D.-B.; Maruyama, Y.-S.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 2
• Pages of publication: 400 - 403
• a: 8.433 ± 0.002 Å
• b: 12.987 ± 0.006 Å
• c: 7.743 ± 0.003 Å
• α: 98.92 ± 0.04°
• β: 98.9 ± 0.03°
• γ: 105.53 ± 0.03°
• Cell volume: 789.8 ± 0.6 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.06
• Weighted residual factors for significantly intense reflections: 0.081
• Goodness-of-fit parameter for significantly intense reflections: 2.06
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MolybdenumKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No