Information card for entry 7707560

Structure parameters

• Formula: C10 H26 Cl6 N2 O V
• Calculated formula: C10 H26 Cl6 N2 O V
• Title of publication: A polar oxyhalogen-vanadate compound (C₅NH₁₃Cl)₂VOCl₄ with optical and two-staged dielectric switch behavior.
• Authors of publication: Kong, Qing-Rong; Wang, Bin; Liu, Xiao-Lin; Zhao, Hai-Xia; Long, La-Sheng; Zheng, Lan-Sun
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2021
• Journal volume: 50
• Journal issue: 26
• Pages of publication: 9293 - 9297
• a: 8.7514 ± 0.0001 Å
• b: 9.0408 ± 0.0001 Å
• c: 12.5409 ± 0.0002 Å
• α: 90°
• β: 95.965 ± 0.001°
• γ: 90°
• Cell volume: 986.86 ± 0.02 ų
• Cell temperature: 200 ± 0.1 K
• Ambient diffraction temperature: 200 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0444
• Residual factor for significantly intense reflections: 0.0423
• Weighted residual factors for significantly intense reflections: 0.1108
• Weighted residual factors for all reflections included in the refinement: 0.1124
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No