Information card for entry 1551101

Structure parameters

• Formula: C95 H147 N17 O15 P
• Calculated formula: C95 H102 N17 O15 P
• Title of publication: Construction and interconversion of anion-coordination-based (‘aniono’) grids and double helicates modulated by counter-cations
• Authors of publication: Fan, Xiaoxia; Zhang, Dan; Jiang, Shiyu; Wang, Heng; Lin, Lin-Ting; Zheng, Bo; Xu, Wen-Hua; Zhao, Yanxia; Hay, Benjamin P.; Chan, Yi-Tsu; Yang, Xiao-Juan; Li, Xiaopeng; Wu, Biao
• Journal of publication: Chemical Science
• Year of publication: 2019
• a: 22.5953 ± 0.0016 Å
• b: 26.3348 ± 0.0018 Å
• c: 19.0456 ± 0.0012 Å
• α: 90°
• β: 103.18 ± 0.004°
• γ: 90°
• Cell volume: 11034.4 ± 1.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.1703
• Residual factor for significantly intense reflections: 0.1108
• Weighted residual factors for significantly intense reflections: 0.272
• Weighted residual factors for all reflections included in the refinement: 0.3009
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No