Crystallography Open Database

Information card for entry 2023310

2023309 << 2023310 >> 2023311

Preview

Coordinates	2023310.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	Bis[μ-3,3,3',3'-tetraethyl-1,1'-(furan-2,5-dicarbonyl)bis(thioureato)]dicopper(II) dichloromethane disolvate
Formula	C34 H48 Cl4 Cu2 N8 O6 S4
Calculated formula	C34 H48 Cl4 Cu2 N8 O6 S4
Title of publication	Crystal structure of a solvated dinuclear CuII complex derived from 3,3,3′,3′-tetraethyl-1,1′-(furan-2,5-dicarbonyl)bis(thiourea)
Authors of publication	Le, Canh Dinh; Nguyen, Hoang Phuc; Pham, Chien Thang
Journal of publication	Acta Crystallographica Section E Crystallographic Communications
Year of publication	2024
Journal volume	80
Journal issue	12
a	10.229 ± 0.0009 Å
b	13.0681 ± 0.001 Å
c	16.9601 ± 0.0015 Å
α	90°
β	98.377 ± 0.003°
γ	90°
Cell volume	2242.9 ± 0.3 Å³
Cell temperature	140 ± 2 K
Ambient diffraction temperature	140 ± 2 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0713
Residual factor for significantly intense reflections	0.0376
Weighted residual factors for significantly intense reflections	0.0675
Weighted residual factors for all reflections included in the refinement	0.076
Goodness-of-fit parameter for all reflections included in the refinement	1.03
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
295851 (current)	2024-11-09	cif/ Adding structures of 2023310 via cif-deposit CGI script.	2023310.cif