Information card for entry 7060040

Structure parameters

• Formula: C180 H222 Cl4.16 N120 O88 Y4
• Calculated formula: C180 H222 Cl4.1664 N120 O88 Y4
• Title of publication: Yttrium and lanthanide (Ln = La and Gd) complexes with cucurbit[10]uril: crystals transforming from supramolecular frameworks to coordination nanotubes
• Authors of publication: Zhang, Yingjie; Liu, Ming; Karatchevtseva, Inna; Price, Jason R.; Tao, Zhu; Wei, Gang
• Journal of publication: New Journal of Chemistry
• Year of publication: 2020
• Journal volume: 44
• Journal issue: 42
• Pages of publication: 18208 - 18215
• a: 21.587 ± 0.004 Å
• b: 22.499 ± 0.005 Å
• c: 40.093 ± 0.008 Å
• α: 89.68 ± 0.03°
• β: 80.68 ± 0.03°
• γ: 73.87 ± 0.03°
• Cell volume: 18443 ± 7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1432
• Residual factor for significantly intense reflections: 0.1037
• Weighted residual factors for significantly intense reflections: 0.3015
• Weighted residual factors for all reflections included in the refinement: 0.3386
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation wavelength: 0.71077 Å
• Diffraction radiation type: silicondoublecrystalmonochromatedsynchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No