Crystallography Open Database

Information card for entry 1513034

Preview

Coordinates	1513034.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Zn(II)-complex of 3-pyridin aldehyde
Formula	C12 H10 Cl2 N2 O2 Zn
Calculated formula	C12 H10 Cl2 N2 O2 Zn
SMILES	[Zn](Cl)(Cl)([n]1cccc(c1)C=O)[n]1cccc(c1)C=O
Title of publication	Ag^I^ and Zn^II^ complexes with possible application as NLO materials ‒ Crystal structures and properties
Authors of publication	Ivanova, Bojidarka; Spiteller, Michael
Journal of publication	Polyhedron
Year of publication	2011
Journal volume	30
Journal issue	2
Pages of publication	241 - 245
a	5.8478 ± 0.0016 Å
b	19.156 ± 0.006 Å
c	12.328 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	1381 ± 0.7 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	62
Hermann-Mauguin space group symbol	P n m a
Hall space group symbol	-P 2ac 2n
Residual factor for all reflections	0.0402
Residual factor for significantly intense reflections	0.0301
Weighted residual factors for significantly intense reflections	0.0668
Weighted residual factors for all reflections included in the refinement	0.07
Goodness-of-fit parameter for all reflections included in the refinement	1.129
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
218750 (current)	2019-09-23	cif/1/51/30/ Updated bibliographic information in entries 1513033-1513034.	1513034.cif
176729	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.	1513034.cif
91876	2013-12-18	cif/1/51/30/ Fixing bibliographies for CIFs 1513033-1513041: moving author contacts from '_chemical_name_systematic' field to appropriate tags. Adding DOIs where missing.	1513034.cif
91362	2013-12-13	cif/ Adding structures of 1513034 via cif-deposit CGI script.	1513034.cif