Information card for entry 7707561

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: 8.7533 ± 0.0004 Å
• b: 9.0953 ± 0.0004 Å
• c: 12.7626 ± 0.0006 Å
• α: 90°
• β: 95.135 ± 0.004°
• γ: 90°
• Cell volume: 1012 ± 0.08 ų
• Cell temperature: 300 ± 0.11 K
• Ambient diffraction temperature: 300 ± 0.11 K
• Number of distinct elements: 6
• 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: 0.0878
• Residual factor for significantly intense reflections: 0.0758
• Weighted residual factors for significantly intense reflections: 0.2182
• Weighted residual factors for all reflections included in the refinement: 0.2326
• Goodness-of-fit parameter for all reflections included in the refinement: 1.131
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No