Information card for entry 7130091

Structure parameters

• Formula: C46 H38 Ag Cl4 F18 N2 O9 Sb3
• Calculated formula: C46 H38 Ag Cl4 F18 N2 O9 Sb3
• Title of publication: The catenation of a singlet diradical dication and modulation of diradical character by metal coordination
• Authors of publication: Li, Ke; Feng, Zhongtao; Ruan, Huapeng; Sun, Quanchun; Zhao, Yue; Wang, Xinping
• Journal of publication: Chemical Communications
• Year of publication: 2022
• a: 12.0834 ± 0.0014 Å
• b: 14.7801 ± 0.0015 Å
• c: 16.8572 ± 0.0018 Å
• α: 90.257 ± 0.003°
• β: 110.805 ± 0.003°
• γ: 99.213 ± 0.003°
• Cell volume: 2771.8 ± 0.5 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1197
• Residual factor for significantly intense reflections: 0.0779
• Weighted residual factors for significantly intense reflections: 0.2002
• Weighted residual factors for all reflections included in the refinement: 0.2236
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No