Crystallography Open Database

Information card for entry 7223648

Preview

Coordinates	7223648.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H24 Cd6 I6 N24 O
Calculated formula	C42 H24 Cd6 I6 N24 O0.98
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	22.0601 ± 0.0014 Å
b	22.0601 ± 0.0014 Å
c	11.9194 ± 0.0015 Å
α	90°
β	90°
γ	120°
Cell volume	5023.4 ± 0.8 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	0.0592
Residual factor for significantly intense reflections	0.0473
Weighted residual factors for significantly intense reflections	0.1167
Weighted residual factors for all reflections included in the refinement	0.1262
Goodness-of-fit parameter for all reflections included in the refinement	1.049
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
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.	7223648.cif
171771	2015-12-31	cif/ Adding structures of 7223645, 7223646, 7223647, 7223648, 7223649, 7223650 via cif-deposit CGI script.	7223648.cif