Crystallography Open Database

Information card for entry 7056237

Preview

Coordinates	7056237.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H32 Br2 Cl4 Cu3 N4 O4
Calculated formula	C26 H32 Br2 Cl4 Cu3 N4 O4
SMILES	c12ccc(cc1C=[N]1CC[N]3(CCOCC3)[Cu]31([O]2[Cu]1([Cl]3)[O]2c3ccc(cc3C=[N]3CC[N]4(CCOCC4)[Cu]23(Cl)[Cl]1)Br)Cl)Br
Title of publication	Mono-, tri- and polynuclear copper(II) complexes of Schiff-base ligands: Synthesis, characterization and catalytic activity towards alcohol oxidation
Authors of publication	Bhattacharjee, Aradhita; Halder, Shibashis; Ghosh, Koushik; Rizzoli, Corrado; Roy, Partha
Journal of publication	New J. Chem.
Year of publication	2017
a	9.123 ± 0.0009 Å
b	16.1575 ± 0.0015 Å
c	21.934 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	3233.2 ± 0.5 Å³
Cell temperature	294 ± 2 K
Ambient diffraction temperature	294 ± 2 K
Number of distinct elements	7
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0347
Residual factor for significantly intense reflections	0.0265
Weighted residual factors for significantly intense reflections	0.0658
Weighted residual factors for all reflections included in the refinement	0.0706
Goodness-of-fit parameter for all reflections included in the refinement	1.04
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
196995 (current)	2017-05-26	cif/ Adding structures of 7056237, 7056238, 7056239 via cif-deposit CGI script.	7056237.cif