Information card for entry 7040226

Structure parameters

• Formula: C161 H236 Cu6 Dy8 N80 O27
• Calculated formula: C161 H236 Cu6 Dy8 N80 O27
• Title of publication: Self-assembly of a unique 3d/4f heterometallic square prismatic box-like coordination cage.
• Authors of publication: Li, Li; Zhang, Yingjie; Avdeev, Maxim; Lindoy, Leonard F.; Harman, David G.; Zheng, Rongkun; Cheng, Zhenxiang; Aldrich-Wright, Janice R; Li, Feng
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 23
• Pages of publication: 9407 - 9411
• a: 24.673 ± 0.012 Å
• b: 42.718 ± 0.009 Å
• c: 24.298 ± 0.005 Å
• α: 90°
• β: 90.01 ± 0.04°
• γ: 90°
• Cell volume: 25610 ± 15 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0741
• Residual factor for significantly intense reflections: 0.0589
• Weighted residual factors for significantly intense reflections: 0.1652
• Weighted residual factors for all reflections included in the refinement: 0.1779
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: silicondoublecrystalmonochromatedsynchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No