Information card for entry 7717966

Structure parameters

• Formula: C218.51 H267.02 Cl2 N13.26 O40 S16 Tb8
• Calculated formula: C210.52 H245.04 Cl2 N11.26 O36 S16 Tb8
• Title of publication: Thiacalix[4]arene-capped Ln(III) aggregates with "hand in hand" structures and their luminescence properties.
• Authors of publication: Gao, Hongbo; Wang, Hao; Liu, Chenxing; Yan, Qicao; Wang, Yanyan; Wen, Herui; You, Hongpeng; Hao, Zhaomin; Liao, Wuping
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2025
• Journal volume: 54
• Journal issue: 10
• Pages of publication: 4332 - 4337
• a: 17.884 ± 0.0004 Å
• b: 23.2926 ± 0.0005 Å
• c: 30.3921 ± 0.0006 Å
• α: 90°
• β: 97.171 ± 0.001°
• γ: 90°
• Cell volume: 12561.3 ± 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: 0.0457
• Residual factor for significantly intense reflections: 0.0389
• Weighted residual factors for significantly intense reflections: 0.0963
• Weighted residual factors for all reflections included in the refinement: 0.1037
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No