Crystallography Open Database

Information card for entry 1566019

Preview

Coordinates	1566019.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H32 Cl4 Co2 N4 O8
Calculated formula	C20 H32 Cl4 Co2 N4 O8
SMILES	c1cccc2[C@H]3[NH]4[C@](CO3)(C[OH][Co]34([n]12)([OH2])[Cl][Co]12([NH]4[C@@H](c5cccc[n]15)OC[C@]4(C[OH]2)CO)([OH2])[Cl]3)CO.[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	7.3616 ± 0.0003 Å
b	9.0186 ± 0.0003 Å
c	11.5236 ± 0.0005 Å
α	73.4 ± 0.003°
β	88.075 ± 0.002°
γ	73.363 ± 0.002°
Cell volume	701.52 ± 0.05 Å³
Cell temperature	298.15 K
Ambient diffraction temperature	298.15 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	0.0447
Residual factor for significantly intense reflections	0.0286
Weighted residual factors for significantly intense reflections	0.0513
Weighted residual factors for all reflections included in the refinement	0.0555
Goodness-of-fit parameter for all reflections included in the refinement	1.065
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.	1566019.cif