Crystallography Open Database

Information card for entry 1512966

Preview

Coordinates	1512966.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H26 N12 O14 Zn
Calculated formula	C14 H24 N12 O14 Zn
SMILES	[Zn]1234([N](O)=C(N)c5[n]1c(ccc5)C(N)=[N]2O)[N](O)=C(N)c1[n]3c(ccc1)C(N)=[N]4O.N(=O)(=O)[O-].N(=O)(=O)[O-].O.O.O.O
Title of publication	Employment of pyridyl oximes and dioximes in zinc(II) chemistry: Synthesis, structural and spectroscopic characterization, and biological evaluation
Authors of publication	Konstantis F. Konidaris; Maria Giouli; Catherine P. Raptopoulou; Vassilis Psycharis; Ioannis I. Verginadis; Anastasios Vasiliadis; Amalia S. Afendra; Spyridon Karkabounas; Evy Manessi-Zoupa; Theocharis C. Stamatatos
Journal of publication	Inorganica Chimica Acta
Year of publication	2013
Journal volume	396
Pages of publication	49 - 59
a	7.0635 ± 0.0001 Å
b	7.0866 ± 0.0001 Å
c	50.7469 ± 0.0012 Å
α	90°
β	90°
γ	90°
Cell volume	2540.2 ± 0.08 Å³
Cell temperature	180 ± 2 K
Ambient diffraction temperature	180 ± 2 K
Number of distinct elements	5
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0525
Residual factor for significantly intense reflections	0.0475
Weighted residual factors for significantly intense reflections	0.1108
Weighted residual factors for all reflections included in the refinement	0.12
Goodness-of-fit parameter for all reflections included in the refinement	1.051
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
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.	1512966.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1512966.cif
91298	2013-12-11	cif/ Adding structures of 1512966 via cif-deposit CGI script.	1512966.cif