Crystallography Open Database

Information card for entry 7058183

Preview

Coordinates	7058183.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C13 H9 N O5 Zn
Calculated formula	C13 H9 N O5 Zn
Title of publication	Luminescent metal‒organic frameworks with a 2-(4-pyridyl)-terephthalic acid ligand for detection of acetone
Authors of publication	An, Fengqin; Zhang, Chengcheng; Duan, Lijuan; Liu, Xiangyu; Wang, Zheng; Jin, Xiaoyong; Song, Weiming
Journal of publication	New Journal of Chemistry
Year of publication	2019
Journal volume	43
Journal issue	12
Pages of publication	4800
a	21.9306 ± 0.0017 Å
b	8.0884 ± 0.0002 Å
c	17.009 ± 0.002 Å
α	90°
β	124.77 ± 0.013°
γ	90°
Cell volume	2478.4 ± 0.5 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0418
Residual factor for significantly intense reflections	0.0401
Weighted residual factors for significantly intense reflections	0.1128
Weighted residual factors for all reflections included in the refinement	0.1142
Goodness-of-fit parameter for all reflections included in the refinement	1.064
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
224990 (current)	2019-11-08	cif/ Updating files of 7058181, 7058182, 7058183 Original log message: Adding full bibliography for 7058181--7058183.cif.	7058183.cif
213717	2019-02-20	cif/ Adding structures of 7058181, 7058182, 7058183 via cif-deposit CGI script.	7058183.cif