Crystallography Open Database

Information card for entry 1512734

Preview

Coordinates	1512734.cif

Structure parameters

Formula	C24 H29 Cu2 N2 Na3 O16.25
Calculated formula	C24 H29 Cu2 N2 Na3 O16.25
SMILES	c12ccccc1C(=O)O[Cu]134[N](C2)(CC(=O)O1)CC1[O]3[Cu]2(OC(O4)=O)([N]3(C1)CC(=O)O2)OC(=O)c1c(C3)cccc1.[Na+].O.O.[Na+].O.[Na+].O.O
Title of publication	Synthesis, crystal structure, magnetic and electrochemical studies of two copper complexes with carboxylate rich dinucleating ligand
Authors of publication	Rebecca A. Joy; Hadi Arman; Shengchang Xiang; Ghezai T. Musie
Journal of publication	Inorganica Chimica Acta
Year of publication	2012
Journal volume	393
Pages of publication	220 - 228
a	18.322 ± 0.003 Å
b	7.4425 ± 0.001 Å
c	23.236 ± 0.004 Å
α	90°
β	111.293 ± 0.002°
γ	90°
Cell volume	2952.2 ± 0.8 Å³
Cell temperature	98 ± 2 K
Ambient diffraction temperature	98 ± 2 K
Number of distinct elements	6
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	0.0343
Residual factor for significantly intense reflections	0.0312
Weighted residual factors for significantly intense reflections	0.0703
Weighted residual factors for all reflections included in the refinement	0.0722
Goodness-of-fit parameter for all reflections included in the refinement	1.019
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.	1512734.cif
90809	2013-11-18	cif/ Adding structures of 1512734 via cif-deposit CGI script.	1512734.cif