Crystallography Open Database

Information card for entry 7242174

Preview

Coordinates	7242174.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H32 Cu2 N4 O20
Calculated formula	C32 H32 Cu2 N4 O20
SMILES	C1(=O)C(Nc2ccc(cc2)O)=[O][Cu]2(O1)(OC(=O)C(Nc1ccc(cc1)O)=[O]2)[OH2].O
Title of publication	Ferromagnetic coupling in a dicopper(ii) oxamate complex bridged by carboxylate groups
Authors of publication	da Cunha, Tamyris T.; da Silveira, Cleverton O. C.; Barbosa, Vitor M. M.; Oliveira, Willian X. C.; da Silva Júnior, Eufrânio N.; Ferreira, Fabio F.; Pedroso, Emerson F.; Pereira, Cynthia L. M.
Journal of publication	CrystEngComm
Year of publication	2021
Journal volume	23
Journal issue	9
Pages of publication	1885 - 1897
a	8.7512 ± 0.0006 Å
b	9.7054 ± 0.0006 Å
c	12.4718 ± 0.0009 Å
α	67.684 ± 0.006°
β	74.454 ± 0.006°
γ	65.499 ± 0.006°
Cell volume	883.98 ± 0.12 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0431
Residual factor for significantly intense reflections	0.0333
Weighted residual factors for significantly intense reflections	0.0768
Weighted residual factors for all reflections included in the refinement	0.0824
Goodness-of-fit parameter for all reflections included in the refinement	1.056
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
263730 (current)	2021-04-05	cif/ Updating files of 7242174, 7242175, 7242176 Original log message: Adding full bibliography for 7242174--7242176.cif.	7242174.cif
261250	2021-01-27	cif/ Adding structures of 7242174, 7242175, 7242176 via cif-deposit CGI script.	7242174.cif