Crystallography Open Database

Information card for entry 4513519

Preview

Coordinates	4513519.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H15 Cl3 Fe2 N8 O3
Calculated formula	C14 H15 Cl3 Fe2 N8 O3
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	7.2793 ± 0.0004 Å
b	9.7479 ± 0.0007 Å
c	15.1562 ± 0.0009 Å
α	100.504 ± 0.006°
β	94.495 ± 0.005°
γ	105.762 ± 0.005°
Cell volume	1008.33 ± 0.12 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0402
Residual factor for significantly intense reflections	0.031
Weighted residual factors for significantly intense reflections	0.0682
Weighted residual factors for all reflections included in the refinement	0.073
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
154575 (current)	2015-09-05	cif/ Updating files of 4513517, 4513518, 4513519 Original log message: Adding full bibliography for 4513517--4513519.cif.	4513519.cif
153426	2015-08-15	cif/ Adding structures of 4513519 via cif-deposit CGI script.	4513519.cif