Information card for entry 7128148

Structure parameters

• Formula: C24 H96 Cu6 N24 Nb68 O204
• Calculated formula: C24 H96 Cu6 N24 Nb68 O204
• 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: 43.7163 ± 0.0005 Å
• b: 43.7163 ± 0.0005 Å
• c: 43.7163 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 83546.9 ± 1.7 ų
• Cell temperature: 175 ± 2 K
• Ambient diffraction temperature: 175 ± 2 K
• Number of distinct elements: 6
• Space group number: 222
• Hermann-Mauguin space group symbol: P n -3 n :2
• Hall space group symbol: -P 4a 2bc 3
• Residual factor for all reflections: 0.0959
• Residual factor for significantly intense reflections: 0.0721
• Weighted residual factors for significantly intense reflections: 0.1601
• Weighted residual factors for all reflections included in the refinement: 0.1719
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No