Information card for entry 7059975

Structure parameters

• Formula: C28 H12 Al F36 N2 O4 S6
• Calculated formula: C28 H12 Al F36 N2 O4 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: 11.4155 ± 0.0015 Å
• b: 21.743 ± 0.003 Å
• c: 18.958 ± 0.002 Å
• α: 90°
• β: 90.048 ± 0.002°
• γ: 90°
• Cell volume: 4705.5 ± 1 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.136
• Residual factor for significantly intense reflections: 0.1093
• Weighted residual factors for significantly intense reflections: 0.2404
• Weighted residual factors for all reflections included in the refinement: 0.2568
• Goodness-of-fit parameter for all reflections included in the refinement: 1.162
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No