Information card for entry 4317006

Structure parameters

• Formula: C21 H35 Cu4 N28 O40 S7 Si W12
• Calculated formula: C21 H35 Cu4 N28 O40 S7 Si W12
• Title of publication: Application of Tetrazole-Functionalized Thioethers with Different Spacer Lengths in the Self-Assembly of Polyoxometalate-Based Hybrid Compounds
• Authors of publication: Xiuli Wang; Hailiang Hu; Aixiang Tian; Hongyan Lin; Jin Li
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 10299 - 10306
• a: 13.784 ± 0.002 Å
• b: 15.939 ± 0.003 Å
• c: 17.512 ± 0.003 Å
• α: 79.346 ± 0.002°
• β: 81.562 ± 0.002°
• γ: 79.064 ± 0.002°
• Cell volume: 3687.5 ± 1.1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 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: 0.1167
• Residual factor for significantly intense reflections: 0.0584
• Weighted residual factors for significantly intense reflections: 0.1134
• Weighted residual factors for all reflections included in the refinement: 0.1303
• Goodness-of-fit parameter for all reflections included in the refinement: 0.969
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No