Crystallography Open Database

Information card for entry 1518328

Preview

Coordinates	1518328.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	[Zn(4-azpy)2(NCO)2]
Formula	C12 H8 N10 O2 Zn
Calculated formula	C12 H8 N10 O2 Zn
SMILES	[Zn](N=C=O)(N=C=O)([n]1ccc(cc1)N=N#N)[n]1ccc(cc1)N=N#N
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	5.5546 ± 0.0011 Å
b	9.0633 ± 0.0018 Å
c	15.527 ± 0.003 Å
α	74.72 ± 0.02°
β	80.86 ± 0.02°
γ	78.21 ± 0.02°
Cell volume	733.6 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.0759
Residual factor for significantly intense reflections	0.0639
Weighted residual factors for significantly intense reflections	0.1293
Weighted residual factors for all reflections included in the refinement	0.1337
Goodness-of-fit parameter for all reflections included in the refinement	1.2
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.	1518328.cif
127934	2014-11-27	cif/ Adding structures of 1518328 via cif-deposit CGI script.	1518328.cif