Crystallography Open Database

Information card for entry 1517774

Preview

Coordinates	1517774.cif
External links	PubChem

Structure parameters

Formula	C30 H32 Cu2 N4 O10
Calculated formula	C30 H32 Cu2 N4 O10
SMILES	[Cu]123([N](=Cc4c([O]1[Cu]15([O]2c2c(ccc(O)c2)C=[N]5CC(=O)O1)[n]1ccccc1)cc(O)cc4)CC(=O)O3)[n]1ccccc1.OC.OC
Title of publication	Synthesis, structures and urease inhibition studies of dimeric copper(II) complexes of Schiff bases derived from glycine
Authors of publication	Yi Gou; Miao Yu; Yuguang Li; Yuhuai Peng; Wu Chen
Journal of publication	Inorganica Chimica Acta
Year of publication	2013
Journal volume	404
Pages of publication	224 - 229
a	8.2728 ± 0.0009 Å
b	18.482 ± 0.002 Å
c	11.3252 ± 0.001 Å
α	90°
β	115.042 ± 0.006°
γ	90°
Cell volume	1568.8 ± 0.3 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0564
Residual factor for significantly intense reflections	0.0448
Weighted residual factors for significantly intense reflections	0.1002
Weighted residual factors for all reflections included in the refinement	0.1052
Goodness-of-fit parameter for all reflections included in the refinement	1.003
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
301776 (current)	2025-08-18	Add cross-references to PubChem compounds in COD range 1/51 Each referenced PubChem compound corresponds to the full crystal structure.	1517774.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.	1517774.cif
123884	2014-09-16	cif/ Adding structures of 1517774 via cif-deposit CGI script.	1517774.cif