Crystallography Open Database

Information card for entry 4330143

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Structure parameters

Formula	C21 H19 Cd N5 O9
Calculated formula	C21 H19 Cd N5 O9
SMILES	c1ccc2c3c(ccc2)[O]2CC(Nc4cccc5cccnc45)=[O][Cd]42([n]13)([O]=N(=O)O4)(ON(=O)=O)[OH]C
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	11.795 ± 0.002 Å
b	13.266 ± 0.003 Å
c	14.913 ± 0.003 Å
α	90°
β	96.768 ± 0.002°
γ	90°
Cell volume	2317.2 ± 0.8 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	0.0397
Residual factor for significantly intense reflections	0.0247
Weighted residual factors for significantly intense reflections	0.0542
Weighted residual factors for all reflections included in the refinement	0.0659
Goodness-of-fit parameter for all reflections included in the refinement	1.06
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
301839 (current)	2025-08-21	Add cross-references to PubChem compounds in COD range 4/33/ Each referenced PubChem compound corresponds to the full crystal structure.	4330143.cif
179404	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.	4330143.cif
79393	2013-04-05	cif/ Adding structures of 4330143 via cif-deposit CGI script.	4330143.cif