Crystallography Open Database

Information card for entry 1512680

Preview

Coordinates	1512680.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H26 Cl Cu N3 O5
Calculated formula	C16 H26 Cl Cu N3 O5
SMILES	[O-]Cl(=O)(=O)=O.CC1=[NH][Cu]2(OC(=C1)c1ccccc1)[N](C)(C)CC[N]2(C)C
Title of publication	Syntheses of mixed chelate copper(II) complexes containing beta-ketoaminato and diamine ligands: Solvatochromism study
Authors of publication	Hamid Golchoubian; Ehsan Rezaee; Giuseppeh Bruno; Hadi Amiri Rudbari
Journal of publication	Inorganica Chimica Acta
Year of publication	2012
Journal volume	393
Pages of publication	1 - 9
a	15.0967 ± 0.0005 Å
b	15.7021 ± 0.0005 Å
c	16.8468 ± 0.0006 Å
α	90°
β	90°
γ	90°
Cell volume	3993.5 ± 0.2 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0404
Residual factor for significantly intense reflections	0.0331
Weighted residual factors for significantly intense reflections	0.0892
Weighted residual factors for all reflections included in the refinement	0.1061
Goodness-of-fit parameter for all reflections included in the refinement	1.072
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
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.	1512680.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1512680.cif
90747	2013-11-18	cif/ Adding structures of 1512680 via cif-deposit CGI script.	1512680.cif