Information card for entry 7129691

Structure parameters

• Formula: C32 H197 Cu11 K3 N32 Na4 Nb54 O184
• Calculated formula: C32 Cu11 K3 N32 Na4 Nb54 O184
• Title of publication: Two high-nuclearity isopolyoxoniobates containing {Nb54 O151}-based helical nanotubes for the decomposition of chemical warfare agent simulants
• Authors of publication: Wu, Yan-Lan; Wang, Yong-Jiang; Sun, Yan-Qiong; Li, Xin-Xiong; Zheng, Shou-Tian
• Journal of publication: Chemical Communications
• Year of publication: 2022
• a: 56.743 ± 0.003 Å
• b: 19.9065 ± 0.001 Å
• c: 55.091 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 62228 ± 5 ų
• Cell temperature: 175 ± 2 K
• Ambient diffraction temperature: 175 ± 2 K
• Number of distinct elements: 8
• Space group number: 64
• Hermann-Mauguin space group symbol: C m c e
• Hall space group symbol: -C 2ac 2
• Residual factor for all reflections: 0.0761
• Residual factor for significantly intense reflections: 0.0673
• Weighted residual factors for significantly intense reflections: 0.1851
• Weighted residual factors for all reflections included in the refinement: 0.1922
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No