Information card for entry 7117205

Structure parameters

• Formula: C67 H155 Br Mn Mo6 N9 O29
• Calculated formula: C67 H154 Br Mn Mo6 N9 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: 13.2671 ± 0.0005 Å
• b: 14.756 ± 0.0006 Å
• c: 14.887 ± 0.0004 Å
• α: 119.33 ± 0.004°
• β: 103.729 ± 0.003°
• γ: 96.883 ± 0.003°
• Cell volume: 2370.4 ± 0.2 ų
• Cell temperature: 109 ± 6 K
• Ambient diffraction temperature: 109 ± 6 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: 0.0335
• Residual factor for significantly intense reflections: 0.0296
• Weighted residual factors for significantly intense reflections: 0.0579
• Weighted residual factors for all reflections included in the refinement: 0.0601
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No