Information card for entry 7128149

Structure parameters

• Formula: C40 H160 Cu10 N40 Nb68 O208
• Calculated formula: C40 H160 Cu10 N40 Nb68 O208
• Title of publication: Proton conductive polyoxoniobate frameworks constructed from nanoscale {Nb₆₈O₂₀₀} cages.
• Authors of publication: Lin, Yu-Diao; Zhu, Zeng-Kui; Ge, Rui; Yu, Hao; Li, Zhong; Sun, Cai; Sun, Yan-Qiong; Li, Xin-Xiong; Zheng, Shou-Tian
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2021
• Journal volume: 57
• Journal issue: 38
• Pages of publication: 4702 - 4705
• a: 39.726 ± 0.003 Å
• b: 29.335 ± 0.002 Å
• c: 20.427 ± 0.0014 Å
• α: 90°
• β: 90.69 ± 0.002°
• γ: 90°
• Cell volume: 23803 ± 3 ų
• Cell temperature: 175 ± 2 K
• Ambient diffraction temperature: 175 ± 2 K
• Number of distinct elements: 6
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.0758
• Residual factor for significantly intense reflections: 0.0596
• Weighted residual factors for significantly intense reflections: 0.1695
• Weighted residual factors for all reflections included in the refinement: 0.1778
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No