Information card for entry 7207981

Structure parameters

• Formula: C14 H11 O8 S4
• Calculated formula: C14 H11 O8 S4
• SMILES: S1C(SC=C1)=C1SC=CS1.[O-]C(=O)/C=C\C(=O)O.O=C(O)/C=C\C(=O)O
• Title of publication: Hydrogen-bonded maleate counter anions in tetrathiafulvalene crystals
• Authors of publication: Jayanty, Subbalakshmi; Akutagawa, Tomoyuki; Nakamura, Takayoshi
• Journal of publication: CrystEngComm
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 11
• Pages of publication: 3875
• a: 11.4823 ± 0.0005 Å
• b: 13.8691 ± 0.0007 Å
• c: 11.8073 ± 0.0006 Å
• α: 90°
• β: 113.293 ± 0.0014°
• γ: 90°
• Cell volume: 1727.04 ± 0.15 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for significantly intense reflections: 0.0238
• Weighted residual factors for all reflections included in the refinement: 0.0623
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No