Information card for entry 1564510

Structure parameters

• Formula: C96 H64 Cl4 Cu4 N16 O40 P W12
• Calculated formula: C96 H64 Cl4 Cu4 N16 O40 P W12
• Title of publication: Synthesis of a novel 3D supramolecular hybrid via in situ self-assembly for the degradation of organic dyes
• Authors of publication: Guo, Hong; Yu, Zhaoqiang; Su, Yajun; Jiang, Xin-Dong
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2020
• Journal volume: 508
• Pages of publication: 119625
• a: 14.797 ± 0.007 Å
• b: 16.179 ± 0.008 Å
• c: 16.859 ± 0.007 Å
• α: 70.283 ± 0.019°
• β: 73.998 ± 0.019°
• γ: 79.183 ± 0.019°
• Cell volume: 3632 ± 3 ų
• Cell temperature: 293.15 ± 0.02 K
• Ambient diffraction temperature: 293.15 ± 0.02 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1553
• Residual factor for significantly intense reflections: 0.1247
• Weighted residual factors for significantly intense reflections: 0.3258
• Weighted residual factors for all reflections included in the refinement: 0.362
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No