Crystallography Open Database

Information card for entry 7246198

Preview

Coordinates	7246198.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H16 N4 Ni O2 S2 Zn
Calculated formula	C19 H16 N4 Ni O2 S2 Zn
Title of publication	Influence of non-covalent interactions on the coordination geometry of Ni(ii) in Ni(ii)–M(ii) complexes (M = Zn and Hg) with a salen-type N2O2 Schiff base ligand and thiocyanate ion as the coligand
Authors of publication	Das, Lakshmi Kanta; Bhunia, Pradip; Gomila, Rosa M.; Frontera, Antonio; Ghosh, Ashutosh
Journal of publication	CrystEngComm
Year of publication	2023
Journal volume	25
Journal issue	9
Pages of publication	1393 - 1402
a	14.866 ± 0.005 Å
b	16.411 ± 0.005 Å
c	17.012 ± 0.005 Å
α	90 ± 0.005°
β	90 ± 0.005°
γ	90 ± 0.005°
Cell volume	4150 ± 2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0431
Residual factor for significantly intense reflections	0.0283
Weighted residual factors for significantly intense reflections	0.0624
Weighted residual factors for all reflections included in the refinement	0.0685
Goodness-of-fit parameter for all reflections included in the refinement	1.014
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
281455 (current)	2023-03-04	cif/ Updating files of 7246198, 7246199 Original log message: Adding full bibliography for 7246198--7246199.cif.	7246198.cif
280562	2023-01-25	cif/ Adding structures of 7246198, 7246199 via cif-deposit CGI script.	7246198.cif