Crystallography Open Database

Information card for entry 1509821

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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
301775 (current)	2025-08-18	Add cross-references to PubChem compounds in COD range 1/50 Each referenced PubChem compound corresponds to the full crystal structure.	1509821.cif
176729	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