Information card for entry 7207983

Structure parameters

• Formula: C60 H41 O12 S32
• Calculated formula: C60 H38 O12 S32
• 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: 12.084 ± 0.003 Å
• b: 20.891 ± 0.004 Å
• c: 15.674 ± 0.004 Å
• α: 90°
• β: 103.294 ± 0.01°
• γ: 90°
• Cell volume: 3850.8 ± 1.6 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: 0.0319
• Weighted residual factors for all reflections included in the refinement: 0.0815
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No