Information card for entry 4317007

Structure parameters

• Formula: C36 H64 Cu4 N32 O40 S8 Si W12
• Calculated formula: C36 H64 Cu4 N32 O40 S8 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: 13.294 ± 0.002 Å
• b: 25.171 ± 0.004 Å
• c: 13.626 ± 0.002 Å
• α: 90°
• β: 104.6 ± 0.002°
• γ: 90°
• Cell volume: 4412.3 ± 1.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0831
• Residual factor for significantly intense reflections: 0.0466
• Weighted residual factors for significantly intense reflections: 0.0969
• Weighted residual factors for all reflections included in the refinement: 0.1105
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No