Crystallography Open Database

Information card for entry 7711701

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Coordinates	7711701.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H10 Br2 Cl2 O6 Zn
Calculated formula	C14 H10 Br2 Cl2 O6 Zn
SMILES	[Zn]12([O]=Cc3c(O1)c(cc(c3)Cl)Br)([O]=Cc1c(O2)c(cc(c1)Cl)Br)([OH2])[OH2]
Title of publication	Zinc(ii) complexes of 3-bromo-5-chloro-salicylaldehyde: characterization and biological activity
Authors of publication	Zianna, Ariadni; Vradi, Ellie; Hatzidimitriou, Antonios G.; Kalogiannis, Stavros; Psomas, George
Journal of publication	Dalton Transactions
Year of publication	2022
a	7.5788 ± 0.0007 Å
b	27.462 ± 0.003 Å
c	8.6083 ± 0.0008 Å
α	90°
β	101.409 ± 0.004°
γ	90°
Cell volume	1756.2 ± 0.3 Å³
Cell temperature	295 K
Ambient diffraction temperature	295 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	0.0669
Residual factor for significantly intense reflections	0.0329
Weighted residual factors for all reflections	0.0992
Weighted residual factors for significantly intense reflections	0.0675
Weighted residual factors for all reflections included in the refinement	0.0675
Goodness-of-fit parameter for all reflections included in the refinement	1
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
279047 (current)	2022-11-08	cif/ Adding structures of 7711701, 7711702 via cif-deposit CGI script.	7711701.cif