Crystallography Open Database

Information card for entry 7236014

Preview

Coordinates	7236014.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H38 Cu2 N2 O14 S2
Calculated formula	C32 H38 Cu2 N2 O14 S2
SMILES	[Cu]123([N](c4c(S(=O)(=O)O1)cccc4)=Cc1c([O]2[Cu]24([O]3c3c(C=[N]4c4c(S(=O)(=O)O2)cccc4)cccc3OC)[OH]CC)c(OC)ccc1)[OH]CC.O.O
Title of publication	Sulfonated Schiff base copper(ii) complexes as efficient and selective catalysts in alcohol oxidation: syntheses and crystal structures
Authors of publication	Hazra, Susanta; Martins, Luísa M. D. R. S.; Guedes da Silva, M. Fátima C.; Pombeiro, Armando J. L.
Journal of publication	RSC Advances
Year of publication	2015
Journal volume	5
Journal issue	109
Pages of publication	90079
a	7.7522 ± 0.001 Å
b	17.119 ± 0.002 Å
c	13.2121 ± 0.0014 Å
α	90°
β	92.839 ± 0.004°
γ	90°
Cell volume	1751.2 ± 0.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0357
Residual factor for significantly intense reflections	0.0321
Weighted residual factors for significantly intense reflections	0.0796
Weighted residual factors for all reflections included in the refinement	0.0816
Goodness-of-fit parameter for all reflections included in the refinement	1.038
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
233832 (current)	2019-11-23	cif/ Adding structures of 7236010, 7236011, 7236012, 7236013, 7236014 via cif-deposit CGI script.	7236014.cif