Crystallography Open Database

Information card for entry 4330144

Preview

Coordinates	4330144.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H14 N4 O5 Zn
Calculated formula	C20 H14 N4 O5 Zn
SMILES	[Zn]123([n]4cccc5cccc(c45)N1C(=O)C[O]3c1cccc3ccc[n]2c13)ON(=O)=O
Title of publication	A Highly Selective Fluorescent Sensor for Distinguishing Cadmium from Zinc Ions Based on a Quinoline Platform
Authors of publication	Xiaoyan Zhou; Pengxuan Li; Zhaohua Shi; Xiaoliang Tang; Chunyang Chen; Weisheng Liu
Journal of publication	Inorganic Chemistry
Year of publication	2012
Journal volume	51
Pages of publication	9226 - 9231
a	8.902 ± 0.008 Å
b	14.05 ± 0.013 Å
c	15.132 ± 0.014 Å
α	90°
β	98.827 ± 0.009°
γ	90°
Cell volume	1870 ± 3 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/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0724
Residual factor for significantly intense reflections	0.0397
Weighted residual factors for significantly intense reflections	0.0639
Weighted residual factors for all reflections included in the refinement	0.0714
Goodness-of-fit parameter for all reflections included in the refinement	0.999
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
179404 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/01.	4330144.cif
79394	2013-04-05	cif/ Adding structures of 4330144 via cif-deposit CGI script.	4330144.cif