Information card for entry 7717965

Structure parameters

• Formula: C219.59 H271.89 Cl2 Eu8 N13.3 O41 S16
• Calculated formula: C210.612 H245.918 Cl2 Eu8 N11.306 O36 S16
• Title of publication: Thiacalix[4]arene-Capped Ln(III) Aggregates with “Hand in Hand” Structures and their Luminescent Properties
• Authors of publication: Gao, Hongbo; Wang, Hao; Liu, Chenxing; Yan, Qicao; Wang, Yanyan; Wen, He-Rui; You, Hongpeng; Hao, Zhaomin; Liao, Wuping
• Journal of publication: Dalton Transactions
• Year of publication: 2025
• a: 17.9372 ± 0.0004 Å
• b: 23.3395 ± 0.0006 Å
• c: 30.4245 ± 0.0007 Å
• α: 90°
• β: 97.112 ± 0.001°
• γ: 90°
• Cell volume: 12639.1 ± 0.5 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0793
• Residual factor for significantly intense reflections: 0.065
• Weighted residual factors for significantly intense reflections: 0.1323
• Weighted residual factors for all reflections included in the refinement: 0.142
• Goodness-of-fit parameter for all reflections included in the refinement: 1.227
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No