Crystallography Open Database

Information card for entry 1566020

Preview

Coordinates	1566020.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H28 Cl4 Cu2 N4 O6
Calculated formula	C20 H28 Cl4 Cu2 N4 O6
SMILES	c1cccc2C3[NH]4C(CO3)(CO)C[OH][Cu]4([n]12)(Cl)Cl
Title of publication	Homobinuclear compounds based on a chiral oxazolidine ligand: From solid state study to aqueous solution dynamics
Authors of publication	Areas, Esther S.; Junior, Henrique C.S.; Freitas, Brunno P.; Ferreira, Glaucio B.; Guedes, Guilherme P.
Journal of publication	Inorganica Chimica Acta
Year of publication	2022
Journal volume	529
Pages of publication	120664
a	10.0374 ± 0.0004 Å
b	13.0712 ± 0.0005 Å
c	10.6263 ± 0.0005 Å
α	90°
β	113.494 ± 0.002°
γ	90°
Cell volume	1278.6 ± 0.09 Å³
Cell temperature	298 K
Ambient diffraction temperature	298 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0327
Residual factor for significantly intense reflections	0.0249
Weighted residual factors for significantly intense reflections	0.0538
Weighted residual factors for all reflections included in the refinement	0.0566
Goodness-of-fit parameter for all reflections included in the refinement	1.042
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
272101 (current)	2022-01-18	cif/ Adding structures of 1566019, 1566020 via cif-deposit CGI script.	1566020.cif