Information card for entry 7207982

Structure parameters

• Formula: C31 H26 O14 S12
• Calculated formula: C31 H21 O14 S12
• 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: 10.9021 ± 0.0005 Å
• b: 29.581 ± 0.0011 Å
• c: 12.2738 ± 0.0007 Å
• α: 90°
• β: 94.688 ± 0.0016°
• γ: 90°
• Cell volume: 3945 ± 0.3 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.0542
• Weighted residual factors for all reflections included in the refinement: 0.0785
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No