Crystallography Open Database

Information card for entry 1512973

Preview

Coordinates	1512973.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C31 H39 Cl Cu2 N4 O8
Calculated formula	C31 H39 Cl Cu2 N4 O8
SMILES	[Cu]12(Oc3ccccc3C(=[N]1CC[N]2(C)C)C)[O]=C(O[Cu]12Oc3ccccc3C(=[N]1CC[N]2(C)C)C)c1ccccc1.Cl(=O)(=O)(=O)[O-]
Title of publication	Synthesis and structure of mono-, di- and tri-nuclear copper(II) benzoate complexes with a tridentate N2O donor Schiff base ligand
Authors of publication	Pallab Bhowmik; Shouvik Chattopadhyay; Ashutosh Ghosh
Journal of publication	Inorganica Chimica Acta
Year of publication	2013
Journal volume	396
Pages of publication	66 - 71
a	13.452 ± 0.002 Å
b	17.648 ± 0.003 Å
c	7.421 ± 0.0017 Å
α	90°
β	108.58 ± 0.005°
γ	90°
Cell volume	1669.9 ± 0.5 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	5
Hermann-Mauguin space group symbol	C 1 2 1
Hall space group symbol	C 2y
Residual factor for all reflections	0.1128
Residual factor for significantly intense reflections	0.0993
Weighted residual factors for significantly intense reflections	0.2918
Weighted residual factors for all reflections included in the refinement	0.3028
Goodness-of-fit parameter for all reflections included in the refinement	1.13
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.	1512973.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1512973.cif
91305	2013-12-11	cif/ Adding structures of 1512973 via cif-deposit CGI script.	1512973.cif