Information card for entry 7238025

Structure parameters

• Formula: C3 H12 N2 O10 V4
• Calculated formula: C3 H12 N2 O10 V4
• Title of publication: Order‒disorder transformation of intercalated cations triggering huge negative thermal expansion, switchable dielectrics and ion conduction near room temperature in a 2D vanadium oxide hybrid
• Authors of publication: Yao, Zhi-Yuan; Qian, Yin; Ren, Qiu; Zhang, Guo-Qin; Zhang, Jin; Liu, Wen-Long; Luo, Hong-Bin; Ren, Xiao-Ming
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2019
• Journal volume: 7
• Journal issue: 42
• Pages of publication: 13243
• a: 8.0052 ± 0.0008 Å
• b: 10.0066 ± 0.0009 Å
• c: 15.6982 ± 0.0014 Å
• α: 90°
• β: 100.691 ± 0.004°
• γ: 90°
• Cell volume: 1235.7 ± 0.2 ų
• Cell temperature: 313 ± 2 K
• Ambient diffraction temperature: 313 ± 2 K
• Number of distinct elements: 5
• 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: 0.0895
• Residual factor for significantly intense reflections: 0.052
• Weighted residual factors for significantly intense reflections: 0.1175
• Weighted residual factors for all reflections included in the refinement: 0.1309
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No