Crystallography Open Database

Information card for entry 7223646

Preview

Coordinates	7223646.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H8 Cl3 N9 Zn2
Calculated formula	C20 H8 Cl3 N9 Zn2
Title of publication	A family of Zn(ii)/Cd(ii) halide systems incorporating 5,5′-di(pyridin-2-yl)-3,3′-bi(1,2,4-triazole)
Authors of publication	Yao, Peng-Fei; Liu, Han-Fu; Huang, Fu-Ping; Feng, Fang-lin; Qin, Xiao-Huan; Huang, Mei-Li; Yu, Qing; Bian, He-Dong
Journal of publication	CrystEngComm
Year of publication	2016
Journal volume	18
Journal issue	6
Pages of publication	938
a	8.481 ± 0.0004 Å
b	17.5518 ± 0.0005 Å
c	18.3575 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	2732.64 ± 0.17 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	57
Hermann-Mauguin space group symbol	P b c m
Hall space group symbol	-P 2c 2b
Residual factor for all reflections	0.0945
Residual factor for significantly intense reflections	0.0565
Weighted residual factors for significantly intense reflections	0.1365
Weighted residual factors for all reflections included in the refinement	0.1523
Goodness-of-fit parameter for all reflections included in the refinement	1.045
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
175965 (current)	2016-02-05	cif/ Updating files of 7223645, 7223646, 7223647, 7223648, 7223649, 7223650 Original log message: Adding full bibliography for 7223645--7223650.cif.	7223646.cif
171771	2015-12-31	cif/ Adding structures of 7223645, 7223646, 7223647, 7223648, 7223649, 7223650 via cif-deposit CGI script.	7223646.cif