Crystallography Open Database

Information card for entry 7246403

Preview

Coordinates	7246403.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C8 H8 Cl Cu N5 O4 S2
Calculated formula	C8 H8 Cl Cu N5 O4 S2
Title of publication	Perchlorate-induced structural diversity in thiosemicarbazone copper(ii) complexes provides insights to understand the reactivity in acidic and basic media
Authors of publication	Gil-García, Rubén; Madariaga, Gotzon; Jiménez-Pérez, Alondra; Herrán-Torres, Ignacio; Gago-González, Adrián; Ugalde, María; Januskaitis, Vaidas; Barrera-García, Joaquín; Insausti, Maite; S. Galletero, María; Borrás, Joaquín; Cuevas, José Vicente; Pedrido, Rosa; Gómez-Saiz, Patricia; Lezama, Luis; García-Tojal, Javier
Journal of publication	CrystEngComm
Year of publication	2023
Journal volume	25
Journal issue	15
Pages of publication	2213 - 2226
a	14.95 ± 0.005 Å
b	6.5697 ± 0.0017 Å
c	15.01 ± 0.005 Å
α	90°
β	106.96 ± 0.02°
γ	90°
Cell volume	1410.1 ± 0.8 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
Space group number	12
Hermann-Mauguin space group symbol	C 1 2/m 1
Hall space group symbol	-C 2y
Residual factor for all reflections	0.1265
Residual factor for significantly intense reflections	0.0497
Weighted residual factors for all reflections included in the refinement	0.1154
Goodness-of-fit parameter for all reflections included in the refinement	0.836
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
283219 (current)	2023-05-05	cif/ Updating files of 7246399, 7246400, 7246401, 7246402, 7246403 Original log message: Adding full bibliography for 7246399--7246403.cif.	7246403.cif
281679	2023-03-07	cif/ Adding structures of 7246399, 7246400, 7246401, 7246402, 7246403 via cif-deposit CGI script.	7246403.cif