Crystallography Open Database

Information card for entry 7246400

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Coordinates	7246400.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H14 Cl2 Cu2 N8 O8 S2
Calculated formula	C14 H14 Cl2 Cu2 N8 O8 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	14.812 ± 0.014 Å
b	9.144 ± 0.004 Å
c	17.494 ± 0.009 Å
α	90°
β	104.95 ± 0.09°
γ	90°
Cell volume	2289 ± 3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.1265
Residual factor for significantly intense reflections	0.0516
Weighted residual factors for all reflections included in the refinement	0.1329
Goodness-of-fit parameter for all reflections included in the refinement	0.802
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.	7246400.cif
281679	2023-03-07	cif/ Adding structures of 7246399, 7246400, 7246401, 7246402, 7246403 via cif-deposit CGI script.	7246400.cif