Crystallography Open Database

Information card for entry 1561290

Preview

Coordinates	1561290.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H14 N3 O4 Zn
Calculated formula	C18 H14 N3 O4 Zn
Title of publication	Zn/Cd/Cu- frameworks constructed by 3,3′-diphenyldicarboxylate and 1,4-bis(1,2,4-triazol-1-yl)butane: Syntheses, structure, luminescence and luminescence sensing for metal ion in aqueous medium
Authors of publication	Zhang, Mei-Na; Fan, Ting-Ting; Wang, Qiu-Shuang; Han, Hong-Liang; Li, Xia
Journal of publication	Journal of Solid State Chemistry
Year of publication	2018
Journal volume	258
Pages of publication	744 - 752
a	10.788 ± 0.002 Å
b	9.803 ± 0.002 Å
c	15.462 ± 0.003 Å
α	90°
β	91.268 ± 0.004°
γ	90°
Cell volume	1634.8 ± 0.6 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 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	0.1061
Residual factor for significantly intense reflections	0.0558
Weighted residual factors for significantly intense reflections	0.1342
Weighted residual factors for all reflections included in the refinement	0.1706
Goodness-of-fit parameter for all reflections included in the refinement	0.838
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
263360 (current)	2021-03-26	cif/ Adding structures of 1561290, 1561291, 1561292 via cif-deposit CGI script.	1561290.cif