Crystallography Open Database

Information card for entry 1509821

Preview

Coordinates	1509821.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H18 Cu N2 O5
Calculated formula	C18 H18 Cu N2 O5
SMILES	[Cu]12(Oc3c(C=[N]2[C@@H](Cc2c[nH]c4c2cccc4)C(=O)O1)cccc3)([OH2])[OH2]
Title of publication	X-ray Diffraction Structures of Two N-Salicylidine Tryptophanato Diaquocopper(II) Complexes: Erythro and Threo Isomers
Authors of publication	Angel García-Raso; Juan J. Fiol; Ferrán Bádenas; Miguel Quirós
Journal of publication	Polyhedron
Year of publication	1996
Journal volume	15
Pages of publication	4407 - 4413
a	6.616 ± 0.003 Å
b	8.214 ± 0.002 Å
c	33.03 ± 0.03 Å
α	90°
β	90°
γ	90°
Cell volume	1795 ± 1.9 Å³
Cell temperature	298 ± 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 significantly intense reflections	0.074
Weighted residual factors for all reflections included in the refinement	0.07
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.	1509821.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1509821.cif
82853	2013-04-30	cif/ Updating files of 1509821 Original log message: Fixing wrong coordinate of C7	1509821.cif
82852	2013-04-30	cif/ Adding structures of 1509821 via cif-deposit CGI script.	1509821.cif