Crystallography Open Database

Information card for entry 1560261

Preview

Coordinates	1560261.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	2(C8 H20 N), Cl0.14 I3.86 Zn
Formula	C16 H40 Cl0.14 I3.86 N2 Zn
Calculated formula	Cl0.14 I3.86 Re2 Zn
Title of publication	Structural and electrical phase transitions in the [(C2H5)4N]2ZnI3.86Cl0.14 system
Authors of publication	Najla Mahbouli Rhouma; Ali Rayes; Francesco Mezzadri; Davide Delmonte; Riccardi Cabassi; Gianluca Calestani; Mohamed Loukil
Journal of publication	Journal of Solid State Chemistry
Year of publication	2017
Journal volume	256
Pages of publication	60 - 66
a	15.718 ± 0.002 Å
b	17.893 ± 0.003 Å
c	10.5835 ± 0.0015 Å
α	90°
β	90°
γ	90°
Cell volume	2976.5 ± 0.8 Å³
Cell temperature	453 ± 1 K
Ambient diffraction temperature	453 ± 1 K
Number of distinct elements	6
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.1845
Residual factor for significantly intense reflections	0.1266
Weighted residual factors for all reflections	0.1569
Weighted residual factors for significantly intense reflections	0.1381
Goodness-of-fit parameter for all reflections	0.15
Method of determination	powder diffraction
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.5418 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
261396 (current)	2021-02-03	cif/ Adding structures of 1560261 via cif-deposit CGI script.	1560261.cif