Information card for entry 7059974

Structure parameters

• Formula: C12 H12 N2 S6
• Calculated formula: C12 H12 N2 S6
• Title of publication: Stabilization and isolation of radical cation and dication salts of a tetrathiafulvalene derivative functionalized with amino groups
• Authors of publication: Li, Xiang; Liu, Yu-Han; Zhu, Guang-Zhou; Gao, Feng
• Journal of publication: New Journal of Chemistry
• Year of publication: 2020
• Journal volume: 44
• Journal issue: 39
• Pages of publication: 16959 - 16964
• a: 18.541 ± 0.004 Å
• b: 11.086 ± 0.002 Å
• c: 7.6415 ± 0.0016 Å
• α: 90°
• β: 101.055 ± 0.003°
• γ: 90°
• Cell volume: 1541.5 ± 0.5 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 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 all reflections: 0.0463
• Residual factor for significantly intense reflections: 0.0379
• Weighted residual factors for significantly intense reflections: 0.1128
• Weighted residual factors for all reflections included in the refinement: 0.1191
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No