Information card for entry 1552721

Structure parameters

• Formula: C18 H16.5 F12 N2.5 P2 S0.5
• Calculated formula: C18 H16.5 F12 N2.5 P2 S0.5
• Title of publication: Tuning radical interactions in trisradical tricationic complexes by varying host-cavity sizes.
• Authors of publication: Cai, Kang; Shi, Yi; Cao, Changsu; Vemuri, Suneal; Cui, Binbin; Shen, Dengke; Wu, Huang; Zhang, Long; Qiu, Yunyan; Chen, Hongliang; Jiao, Yang; Stern, Charlotte L.; Alsubaie, Fehaid M.; Xiao, Hai; Li, Jun; Stoddart, J. Fraser
• Journal of publication: Chemical science
• Year of publication: 2020
• Journal volume: 11
• Journal issue: 1
• Pages of publication: 107 - 112
• a: 13.603 ± 0.0013 Å
• b: 13.8062 ± 0.0013 Å
• c: 16.0216 ± 0.0016 Å
• α: 101.314 ± 0.006°
• β: 111.832 ± 0.006°
• γ: 107.987 ± 0.006°
• Cell volume: 2486.3 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100.02 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: 0.2373
• Residual factor for significantly intense reflections: 0.1355
• Weighted residual factors for significantly intense reflections: 0.3849
• Weighted residual factors for all reflections included in the refinement: 0.4408
• Goodness-of-fit parameter for all reflections included in the refinement: 1.299
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No