Crystallography Open Database

Information card for entry 7236013

Preview

Coordinates	7236013.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H32 Cu2 N4 O10 S2
Calculated formula	C38 H32 Cu2 N4 O10 S2
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	8.149 ± 0.002 Å
b	16.476 ± 0.005 Å
c	13.478 ± 0.004 Å
α	90°
β	94.476 ± 0.01°
γ	90°
Cell volume	1804.1 ± 0.9 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	0.0731
Residual factor for significantly intense reflections	0.0432
Weighted residual factors for significantly intense reflections	0.0807
Weighted residual factors for all reflections included in the refinement	0.0886
Goodness-of-fit parameter for all reflections included in the refinement	1.045
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.	7236013.cif