Information card for entry 7059976

Structure parameters

• Formula: C44 H12 Al2 F72 N2 O8 S6
• Calculated formula: C44.012 H12 Al2 F72.027 N2 O8.0012 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: 11.8303 ± 0.0017 Å
• b: 16.083 ± 0.002 Å
• c: 20.14 ± 0.003 Å
• α: 93.018 ± 0.002°
• β: 102.528 ± 0.002°
• γ: 102.004 ± 0.002°
• Cell volume: 3639.7 ± 0.9 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0975
• Residual factor for significantly intense reflections: 0.0805
• Weighted residual factors for significantly intense reflections: 0.2369
• Weighted residual factors for all reflections included in the refinement: 0.2624
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No