Crystallography Open Database

Information card for entry 1556627

Preview

Coordinates	1556627.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H30 Cu2 N4 O10 S2
Calculated formula	C32 H30 Cu2 N4 O10 S2
SMILES	c12c([N]3=Cc4ccccc4O[Cu]3([n]3cc[n](cc3)[Cu]34([N](c5c(cccc5)S(=O)(=O)O4)=Cc4ccccc4O3)[OH]C)([OH]C)OS1(=O)=O)cccc2
Title of publication	Syntheses, Structures, and Catalytic Hydrocarbon Oxidation Properties of N-Heterocycle-Sulfonated Schiff Base Copper(II) Complexes
Authors of publication	Hazra, S.; Rocha, B.G.M.; Guedes da Silva, M.F.C.; Karmakar, A.; Pombeiro, A.J.L.
Journal of publication	Inorganics
Year of publication	2019
Journal volume	7
Pages of publication	17
a	7.4426 ± 0.0004 Å
b	10.2904 ± 0.0006 Å
c	11.4557 ± 0.0007 Å
α	75.615 ± 0.002°
β	71.959 ± 0.003°
γ	85.198 ± 0.002°
Cell volume	808.05 ± 0.08 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0371
Residual factor for significantly intense reflections	0.0349
Weighted residual factors for significantly intense reflections	0.0932
Weighted residual factors for all reflections included in the refinement	0.0952
Goodness-of-fit parameter for all reflections included in the refinement	1.098
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
245261 (current)	2019-12-17	cif/ Adding structures of 1556624, 1556625, 1556626, 1556627, 1556628 via cif-deposit CGI script.	1556627.cif