Crystallography Open Database

Information card for entry 4513517

Preview

Coordinates	4513517.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C7 H5 Cl2 Fe N4
Calculated formula	C7 H5 Cl2 Fe N4
Title of publication	A Family of Fe(II)/Cl Supramolecular Coordination Systems Incorporating 5,5′-Di(pyridin-2-yl)-3,3′-bi(1,2,4-triazole)
Authors of publication	Yao, Peng-Fei; Tao, Ye; Li, Hai-Ye; Qin, Xiao-Huan; Shi, Dong-Wei; Huang, Fu-Ping; Yu, Qing; Qin, Xing-Xing; Bian, He-Dong
Journal of publication	Crystal Growth & Design
Year of publication	2015
Journal volume	15
Journal issue	9
Pages of publication	4394
a	14.45 ± 0.002 Å
b	9.2033 ± 0.0012 Å
c	6.7339 ± 0.0005 Å
α	90°
β	92.836 ± 0.008°
γ	90°
Cell volume	894.43 ± 0.18 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0644
Residual factor for significantly intense reflections	0.0535
Weighted residual factors for significantly intense reflections	0.1177
Weighted residual factors for all reflections included in the refinement	0.1221
Goodness-of-fit parameter for all reflections included in the refinement	1.151
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
154575 (current)	2015-09-05	cif/ Updating files of 4513517, 4513518, 4513519 Original log message: Adding full bibliography for 4513517--4513519.cif.	4513517.cif
153424	2015-08-15	cif/ Adding structures of 4513517 via cif-deposit CGI script.	4513517.cif