Information card for entry 7129975

Structure parameters

• Formula: C56 H76 B2 F6 N6 Sb
• Calculated formula: C56 H76 B2 F6 N6 Sb
• Title of publication: Crystalline radical cations of bis-BN-based analogues of Thiele's hydrocarbon
• Authors of publication: Xie, Zhuofeng; Dai, Yuyang; Bao, Manling; Feng, Zhongtao; Wang, Wenjuan; Liu, Chunmeng; Wang, Xinping; Su, Yuanting
• Journal of publication: Chemical Communications
• Year of publication: 2022
• a: 10.4503 ± 0.0009 Å
• b: 13.9363 ± 0.0012 Å
• c: 22.1346 ± 0.0019 Å
• α: 97.006 ± 0.002°
• β: 103.374 ± 0.002°
• γ: 109.486 ± 0.002°
• Cell volume: 2886.1 ± 0.4 ų
• Cell temperature: 140 ± 2 K
• Ambient diffraction temperature: 140 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0485
• Residual factor for significantly intense reflections: 0.0482
• Weighted residual factors for significantly intense reflections: 0.13
• Weighted residual factors for all reflections included in the refinement: 0.1304
• Goodness-of-fit parameter for all reflections included in the refinement: 1.116
• Diffraction radiation wavelength: 1.34139 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No