Information card for entry 7717256

Structure parameters

• Formula: C12 H38 Al N7 O44 S2 V6
• Calculated formula: C12 H38 Al N6.9998 O44 S2 V6
• Title of publication: Iso- and hetero- polyoxovanadium glycolates [VIV6O6(glyc)6MIII(OH)6]3- (M = V, Cr, Fe, Al) encapsulating metal hydroxides
• Authors of publication: Jin, Wan-Ting; Xie, Zhenlang; Su, Xing; Gao, Chuanhua; Hu, Jing; Zhou, Zhao-Hui
• Journal of publication: Dalton Transactions
• Year of publication: 2024
• a: 11.3926 ± 0.0005 Å
• b: 11.3926 ± 0.0005 Å
• c: 31.4864 ± 0.0018 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 3539.2 ± 0.3 ų
• Cell temperature: 173.9 ± 0.6 K
• Ambient diffraction temperature: 173.9 ± 0.6 K
• Number of distinct elements: 7
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.071
• Residual factor for significantly intense reflections: 0.0582
• Weighted residual factors for significantly intense reflections: 0.153
• Weighted residual factors for all reflections included in the refinement: 0.1618
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No