Information card for entry 7707057

Structure parameters

• Formula: B40 H0 N2 Na6 Ni2 O127.52 V12
• Calculated formula: B40 N2 Na6 Ni2 O127.52 V12
• Title of publication: Efficient proton conductivity of a novel 3D open-framework vanadoborate with [V₆B₂₀] architectures.
• Authors of publication: Zhang, Le; Liu, Xinxin; Shang, Mingyu; Sun, Fuxing; Jian, Juan; Bu, Ke; Zeng, Decheng; Yuan, Hongming
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2021
• Journal volume: 50
• Journal issue: 9
• Pages of publication: 3240 - 3246
• a: 12.069 ± 0.002 Å
• b: 21.876 ± 0.004 Å
• c: 12.218 ± 0.002 Å
• α: 90°
• β: 117.47 ± 0.03°
• γ: 90°
• Cell volume: 2862.1 ± 1.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0951
• Residual factor for significantly intense reflections: 0.0798
• Weighted residual factors for significantly intense reflections: 0.1766
• Weighted residual factors for all reflections included in the refinement: 0.1839
• Goodness-of-fit parameter for all reflections included in the refinement: 1.142
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No