Information card for entry 1551102

Structure parameters

• Formula: C85 H126 N17 O17 P
• Calculated formula: C82.5 H84 N17 O17 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: 35.9168 ± 0.0011 Å
• b: 35.9168 ± 0.0011 Å
• c: 32.8056 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 42320 ± 3 ų
• Cell temperature: 100.01 ± 0.1 K
• Ambient diffraction temperature: 100.01 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 88
• Hermann-Mauguin space group symbol: I 41/a
• Hall space group symbol: -I 4ad
• Residual factor for all reflections: 0.161
• Residual factor for significantly intense reflections: 0.1007
• Weighted residual factors for significantly intense reflections: 0.282
• Weighted residual factors for all reflections included in the refinement: 0.3029
• Goodness-of-fit parameter for all reflections included in the refinement: 1.169
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No