Crystallography Open Database

Information card for entry 7707561

Preview

Coordinates	7707561.cif
Original paper (by DOI)	HTML

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 (C<sub>5</sub>NH<sub>13</sub>Cl)<sub>2</sub>VOCl<sub>4</sub> 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 Å³
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 F_obs	No

Version history

Revision	Date	Message	Files
268767 (current)	2021-09-06	cif/ Updating files of 7707559, 7707560, 7707561 Original log message: Adding full bibliography for 7707559--7707561.cif.	7707561.cif
265693	2021-06-03	cif/ Adding structures of 7707559, 7707560, 7707561 via cif-deposit CGI script.	7707561.cif