Information card for entry 1568625

Structure parameters

• Formula: C108 H96 Al2 B2 F72 N6 O8
• Calculated formula: C108 H96 Al2 B2 F72 N6 O8
• Title of publication: Multiple stable redox states and tunable ground states <i>via</i> the marriage of viologens and Chichibabin's hydrocarbon.
• Authors of publication: Dai, Yuyang; Xie, Zhuofeng; Bao, Manling; Liu, Chunmeng; Su, Yuanting
• Journal of publication: Chemical science
• Year of publication: 2023
• Journal volume: 14
• Journal issue: 13
• Pages of publication: 3548 - 3553
• a: 24.71 ± 0.0012 Å
• b: 21.2756 ± 0.001 Å
• c: 24.7191 ± 0.0012 Å
• α: 90°
• β: 98.219 ± 0.002°
• γ: 90°
• Cell volume: 12861.9 ± 1.1 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 7
• 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: 0.1491
• Residual factor for significantly intense reflections: 0.1444
• Weighted residual factors for significantly intense reflections: 0.3288
• Weighted residual factors for all reflections included in the refinement: 0.3316
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 1.34139 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No