Information card for entry 7128802

Structure parameters

• Formula: C68 H64 Ga N O2
• Calculated formula: C68 H64 Ga N O2
• 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: 9.1948 ± 0.0007 Å
• b: 21.649 ± 0.0015 Å
• c: 13.2822 ± 0.0009 Å
• α: 90°
• β: 90.634 ± 0.003°
• γ: 90°
• Cell volume: 2643.8 ± 0.3 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.122
• Residual factor for significantly intense reflections: 0.0986
• Weighted residual factors for significantly intense reflections: 0.2755
• Weighted residual factors for all reflections included in the refinement: 0.2898
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 1.34139 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No