Information card for entry 7117203

Structure parameters

• Formula: C69 H158 Br Cr Mo6 N8 O29
• Calculated formula: C68.498 H156.494 Br Cr Mo6 N8 O29
• Title of publication: Unprecedented chi isomers of single-side triol-functionalized Anderson polyoxometalates and their proton-controlled isomer transformation
• Authors of publication: Jiangwei Zhang; Zhenhua Liu; Yichao Huang; Jin zhang; Jian Hao; Yongge Wei
• Journal of publication: Chem.Commun.
• Year of publication: 2015
• Journal volume: 51
• Pages of publication: 9097
• a: 13.2494 ± 0.0004 Å
• b: 14.7378 ± 0.0006 Å
• c: 14.8892 ± 0.0006 Å
• α: 119.221 ± 0.004°
• β: 103.752 ± 0.003°
• γ: 96.589 ± 0.003°
• Cell volume: 2371.5 ± 0.2 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 K
• Number of distinct elements: 7
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0349
• Residual factor for significantly intense reflections: 0.0306
• Weighted residual factors for significantly intense reflections: 0.0671
• Weighted residual factors for all reflections included in the refinement: 0.0702
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No