Crystallography Open Database

Information card for entry 1512789

Preview

Coordinates	1512789.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H22 N6 O7 Zn
Calculated formula	C24 H22 N6 O7 Zn
SMILES	[Zn]123([n]4ccccc4C[N]1(Cc1[n]2cccc1)CC(Nc1cccc2ccccc12)=[O]3)ON(=O)=O.N(=O)(=O)[O-]
Title of publication	Zinc selective chemosensors based on the flexible dipicolylamine and quinoline
Authors of publication	Hong Gyu Lee; Ju Hoon Lee; Seung Pyo Jang; In Hong Hwang; Sung-Jin Kim; Youngmee Kim; Cheal Kim; Roger G. Harrison
Journal of publication	Inorganica Chimica Acta
Year of publication	2013
Journal volume	394
Pages of publication	542 - 551
a	9.0792 ± 0.0012 Å
b	10.5728 ± 0.0015 Å
c	13.673 ± 0.0018 Å
α	98.742 ± 0.003°
β	103.224 ± 0.002°
γ	104.426 ± 0.002°
Cell volume	1206.6 ± 0.3 Å³
Cell temperature	170 ± 2 K
Ambient diffraction temperature	170 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0618
Residual factor for significantly intense reflections	0.0422
Weighted residual factors for significantly intense reflections	0.0919
Weighted residual factors for all reflections included in the refinement	0.0974
Goodness-of-fit parameter for all reflections included in the refinement	1.008
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
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1512789.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1512789.cif
90874	2013-11-20	cif/ Adding structures of 1512789 via cif-deposit CGI script.	1512789.cif