Crystallography Open Database

Information card for entry 7700355

Preview

Coordinates	7700355.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C6 H18 Br4 S2 Zn
Calculated formula	C6 H18 Br4 S2 Zn
Title of publication	Above room-temperature dielectric and nonlinear optical switching materials based on [(CH<sub>3</sub>)<sub>3</sub>S]<sub>2</sub>[MBr<sub>4</sub>] (M = Cd, Mn and Zn).
Authors of publication	Chen, Xiao-Gang; Zhang, Yao-Zu; Sun, Dong-Sheng; Gao, Ji-Xing; Hua, Xiu-Ni; Liao, Wei-Qiang
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2019
Journal volume	48
Journal issue	30
Pages of publication	11292 - 11297
a	9.0214 ± 0.0004 Å
b	13.0817 ± 0.0005 Å
c	14.2236 ± 0.0006 Å
α	90°
β	90°
γ	90°
Cell volume	1678.6 ± 0.12 Å³
Cell temperature	273 ± 2 K
Ambient diffraction temperature	273 ± 2 K
Number of distinct elements	5
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.078
Residual factor for significantly intense reflections	0.0466
Weighted residual factors for significantly intense reflections	0.0724
Weighted residual factors for all reflections included in the refinement	0.0774
Goodness-of-fit parameter for all reflections included in the refinement	1.036
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
224353 (current)	2019-11-08	cif/ Updating files of 7700351, 7700352, 7700353, 7700354, 7700355 Original log message: Adding full bibliography for 7700351--7700355.cif.	7700355.cif
216553	2019-06-26	cif/ Adding structures of 7700351, 7700352, 7700353, 7700354, 7700355 via cif-deposit CGI script.	7700355.cif