Crystallography Open Database

Information card for entry 7223647

Preview

Coordinates	7223647.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H24 Cd6 Cl6 N24 O2
Calculated formula	C42 H24 Cd6 Cl6 N24 O2
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	21.4709 ± 0.0014 Å
b	21.4709 ± 0.0014 Å
c	11.969 ± 0.0011 Å
α	90°
β	90°
γ	120°
Cell volume	4778.5 ± 0.6 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	148
Hermann-Mauguin space group symbol	R -3
Hall space group symbol	-R 3
Residual factor for all reflections	0.0703
Residual factor for significantly intense reflections	0.0435
Weighted residual factors for significantly intense reflections	0.0851
Weighted residual factors for all reflections included in the refinement	0.1011
Goodness-of-fit parameter for all reflections included in the refinement	1.087
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.	7223647.cif
171771	2015-12-31	cif/ Adding structures of 7223645, 7223646, 7223647, 7223648, 7223649, 7223650 via cif-deposit CGI script.	7223647.cif