Information card for entry 7117206

Structure parameters

• Formula: C8 H43 Cr Mo6 N2 O30
• Calculated formula: C8 H43 Cr Mo6 N2 O30
• SMILES: [Mo]123([OH]4[Mo]5([OH]6[Mo]7([OH]8[Mo]9([OH]%10[Mo]%11([OH]%12[Mo]([OH]1[Cr]468%10%12)(O2)(O%11)(=O)=O)([OH]9)(=O)=O)(O7)(=O)=O)(O5)(=O)=O)(O3)(=O)=O)(=O)=O.O.O.O.O.O.O.C[N+](C)(C)C.C[N+](C)(C)C
• 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: 15.0834 ± 0.0003 Å
• b: 11.5341 ± 0.0004 Å
• c: 23.0245 ± 0.0006 Å
• α: 90°
• β: 98.122 ± 0.002°
• γ: 90°
• Cell volume: 3965.47 ± 0.19 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100.15 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0527
• Residual factor for significantly intense reflections: 0.0617
• Weighted residual factors for significantly intense reflections: 0.1171
• Weighted residual factors for all reflections included in the refinement: 0.1263
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No