Information card for entry 7061808

Structure parameters

• Formula: C20 H10 N3 O24 Y
• Calculated formula: C20 H10 N3 O24 Y
• Title of publication: A new crown-ether clathrate [15-crown-5][Y(NO3)2(H2O)5][NO3] with switchable dielectric constant behaviour
• Authors of publication: Xiang, Lin; Luo, Wang; Yue, Zhi-Yuan; Huang, Yi-Fang; Wang, Na; Miao, Le-Ping; Ye, Heng-Yun; Shi, Chao
• Journal of publication: New Journal of Chemistry
• Year of publication: 2022
• Journal volume: 46
• Journal issue: 38
• Pages of publication: 18512 - 18517
• a: 12.4154 ± 0.0014 Å
• b: 10.499 ± 0.0009 Å
• c: 27.242 ± 0.003 Å
• α: 90°
• β: 91.184 ± 0.011°
• γ: 90°
• Cell volume: 3550.2 ± 0.6 ų
• Cell temperature: 300 ± 2 K
• Ambient diffraction temperature: 300.15 K
• Number of distinct elements: 5
• 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: 0.2742
• Residual factor for significantly intense reflections: 0.2131
• Weighted residual factors for significantly intense reflections: 0.5349
• Weighted residual factors for all reflections included in the refinement: 0.5516
• Goodness-of-fit parameter for all reflections included in the refinement: 1.887
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No