Information card for entry 7717255

Structure parameters

• Formula: C12 H38 Cr N7 O44 S2 V6
• Calculated formula: C12 H38 Cr N6.9998 O44 S2 V6
• Title of publication: Iso- and hetero-polyoxovanadium glycolates [VIV6O₆(glyc)₆M^III(OH)₆]^3- (M = V, Cr, Fe, and Al) encapsulating metal hydroxides.
• Authors of publication: Jin, Wan-Ting; Xie, Zhen-Lang; Su, Xing; Gao, Chuan-Hua; Hu, Jing; Zhou, Zhao-Hui
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2024
• Journal volume: 53
• Journal issue: 46
• Pages of publication: 18711 - 18719
• a: 11.4407 ± 0.0004 Å
• b: 11.4407 ± 0.0004 Å
• c: 31.3283 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 3551.2 ± 0.2 ų
• Cell temperature: 223 K
• Ambient diffraction temperature: 223 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: 0.0445
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for significantly intense reflections: 0.1224
• Weighted residual factors for all reflections included in the refinement: 0.1244
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No