Crystallography Open Database

Information card for entry 1518330

Preview

Coordinates	1518330.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	[Zn(4-azpy)4(NCS)2]
Formula	C22 H16 N18 S2 Zn
Calculated formula	C22 H16 N18 S2 Zn
Title of publication	Synthesis, characterization and luminescence properties of zinc(II) complexes of pseudohalides and nitrite derived from 4-azidopyridine
Authors of publication	Mautner, Franz A.; Scherzer, Michael; Berger, Christian; Fischer, Roland C.; Massoud, Salah S.
Journal of publication	Inorganica Chimica Acta
Year of publication	2015
Journal volume	425
Pages of publication	46 - 51
a	19.0082 ± 0.0005 Å
b	7.8756 ± 0.0002 Å
c	20.9499 ± 0.0006 Å
α	90°
β	115.916 ± 0.001°
γ	90°
Cell volume	2820.83 ± 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/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1019
Residual factor for significantly intense reflections	0.0556
Weighted residual factors for significantly intense reflections	0.1474
Weighted residual factors for all reflections included in the refinement	0.1626
Goodness-of-fit parameter for all reflections included in the refinement	0.977
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.	1518330.cif
127936	2014-11-27	cif/ Adding structures of 1518330 via cif-deposit CGI script.	1518330.cif