Information card for entry 1563517

Structure parameters

• Formula: C72 H70 As2 Cu8 N20 O65 W18
• Calculated formula: C72 H64 As2 Cu8 N20 O65 W18
• Title of publication: A novel extended architecture with 46·64 topology based on mixed-valence Wells‒Dawson arsenotungstate and mixed-ligand Cu(I) units
• Authors of publication: Tong, Ruizhan; Ren, Xiaoyu; Li, Zuoxi; Liu, Bin; Hu, Huaiming; Xue, Ganglin; Fu, Feng; Wang, Jiwu
• Journal of publication: Journal of Solid State Chemistry
• Year of publication: 2010
• Journal volume: 183
• Journal issue: 9
• Pages of publication: 2027 - 2031
• a: 15.4671 ± 0.0009 Å
• b: 17.5861 ± 0.0011 Å
• c: 23.0647 ± 0.0014 Å
• α: 74.827 ± 0.001°
• β: 89.224 ± 0.001°
• γ: 81.079 ± 0.001°
• Cell volume: 5979.4 ± 0.6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0847
• Residual factor for significantly intense reflections: 0.0548
• Weighted residual factors for significantly intense reflections: 0.1505
• Weighted residual factors for all reflections included in the refinement: 0.1741
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No