Information card for entry 7128805

Structure parameters

• Formula: C80 H74 Ga N5
• Calculated formula: C80 H74 Ga N5
• Title of publication: A stable tetrazagallole and its radical anion dimer.
• Authors of publication: Yu, Qian; Zhang, Li; He, Yuhao; Pan, Jinjing; Li, Hao; Bian, Guo-Qing; Chen, Xiaodan; Tan, Gengwen
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2021
• Journal volume: 57
• Journal issue: 73
• Pages of publication: 9268 - 9271
• a: 13.7438 ± 0.0009 Å
• b: 46.807 ± 0.003 Å
• c: 22.5165 ± 0.0013 Å
• α: 90°
• β: 102.572 ± 0.003°
• γ: 90°
• Cell volume: 14137.7 ± 1.5 ų
• Cell temperature: 135 ± 2 K
• Ambient diffraction temperature: 135 ± 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: 0.0774
• Residual factor for significantly intense reflections: 0.0489
• Weighted residual factors for significantly intense reflections: 0.1274
• Weighted residual factors for all reflections included in the refinement: 0.1421
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 1.34139 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No