Crystallography Open Database

Information card for entry 7058182

Preview

Coordinates	7058182.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C13 H9 Cd N O5
Calculated formula	C13 H9 Cd N O5
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	8.3739 ± 0.0005 Å
b	6.8579 ± 0.0004 Å
c	21.1309 ± 0.0013 Å
α	90°
β	94.969 ± 0.001°
γ	90°
Cell volume	1208.93 ± 0.13 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.024
Residual factor for significantly intense reflections	0.0197
Weighted residual factors for significantly intense reflections	0.0445
Weighted residual factors for all reflections included in the refinement	0.0462
Goodness-of-fit parameter for all reflections included in the refinement	1.054
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
224990 (current)	2019-11-08	cif/ Updating files of 7058181, 7058182, 7058183 Original log message: Adding full bibliography for 7058181--7058183.cif.	7058182.cif
213717	2019-02-20	cif/ Adding structures of 7058181, 7058182, 7058183 via cif-deposit CGI script.	7058182.cif