Information card for entry 7112805

Structure parameters

• Formula: C126 H222 Cu24 N144 O321 S36 Si8 W96
• Calculated formula: C126 H216 Cu24 N144 O321 S36 Si8 W96
• Title of publication: Self-assembly of nanometre-scale metallacalix[4]arene building blocks and Keggin units to a novel (3,4)-connected 3D self-penetrating framework.
• Authors of publication: Wang, Xiuli; Hu, Hailiang; Liu, Guocheng; Lin, Hongyan; Tian, Aixiang
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2010
• Journal volume: 46
• Journal issue: 35
• Pages of publication: 6485 - 6487
• a: 27.0553 ± 0.0015 Å
• b: 27.0553 ± 0.0015 Å
• c: 63.159 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 40038 ± 4 ų
• Cell temperature: 185 ± 2 K
• Ambient diffraction temperature: 185 ± 2 K
• Number of distinct elements: 8
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0532
• Residual factor for significantly intense reflections: 0.0384
• Weighted residual factors for significantly intense reflections: 0.081
• Weighted residual factors for all reflections included in the refinement: 0.0853
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No