Information card for entry 7238026

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: 7.9959 ± 0.0011 Å
• b: 10.0451 ± 0.0011 Å
• c: 15.538 ± 0.002 Å
• α: 90°
• β: 103.935 ± 0.004°
• γ: 90°
• Cell volume: 1211.3 ± 0.3 ų
• Cell temperature: 330 ± 2 K
• Ambient diffraction temperature: 330.15 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0631
• Residual factor for significantly intense reflections: 0.0463
• Weighted residual factors for significantly intense reflections: 0.1001
• Weighted residual factors for all reflections included in the refinement: 0.1057
• Goodness-of-fit parameter for all reflections included in the refinement: 1.101
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No