Information card for entry 7118316

Structure parameters

• Formula: C67 H161 Br Cr Mo6 N4 O28
• Calculated formula: C67 H158 Br Cr Mo6 N4 O27
• Title of publication: The proton-controlled synthesis of unprecedented diol functionalized Anderson-type POMs.
• Authors of publication: Zhang, Jiangwei; Li, Qi; Zeng, Mengyan; Huang, Yichao; Zhang, Jin; Hao, Jian; Wei, Yongge
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2016
• Journal volume: 52
• Journal issue: 11
• Pages of publication: 2378 - 2381
• a: 16.5248 ± 0.0013 Å
• b: 15.1876 ± 0.0006 Å
• c: 18.3785 ± 0.0008 Å
• α: 90°
• β: 93.071 ± 0.007°
• γ: 90°
• Cell volume: 4605.9 ± 0.5 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 7
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0575
• Residual factor for significantly intense reflections: 0.0465
• Weighted residual factors for significantly intense reflections: 0.0968
• Weighted residual factors for all reflections included in the refinement: 0.1046
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No