Information card for entry 1547141

Structure parameters

• Formula: C53 H59 B2 Cl4 F3 N4 O3 S
• Calculated formula: C52.999 H59 B2 Cl4 F2.997 N4 O2.997 S0.999
• Title of publication: Crystalline Boron-linked Tetraaminoethylene Radical Cations
• Authors of publication: Su, Yuanting; Li, Yongxin; Ganguly, Rakesh; Kinjo, Rei
• Journal of publication: Chem. Sci.
• Year of publication: 2017
• a: 21.6523 ± 0.0007 Å
• b: 12.031 ± 0.0004 Å
• c: 22.3972 ± 0.0007 Å
• α: 90°
• β: 117.882 ± 0.0013°
• γ: 90°
• Cell volume: 5157.1 ± 0.3 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 8
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0959
• Residual factor for significantly intense reflections: 0.0628
• Weighted residual factors for significantly intense reflections: 0.1553
• Weighted residual factors for all reflections included in the refinement: 0.1798
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No