Information card for entry 7717257

Structure parameters

• Formula: C12 H60 Fe N7 O45 S2 V6
• Calculated formula: C12 H60 Fe N7 O45 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: 20.72 ± 0.0005 Å
• b: 11.175 ± 0.0003 Å
• c: 21.0112 ± 0.0004 Å
• α: 90°
• β: 93.255 ± 0.002°
• γ: 90°
• Cell volume: 4857.2 ± 0.2 ų
• Cell temperature: 195 ± 2 K
• Ambient diffraction temperature: 195 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0416
• Residual factor for significantly intense reflections: 0.0346
• Weighted residual factors for significantly intense reflections: 0.0836
• Weighted residual factors for all reflections included in the refinement: 0.0871
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No