Crystallography Open Database

Information card for entry 1552125

Preview

Coordinates	1552125.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H14 F12 N2 O4 S4 Zn
Calculated formula	C24 H14 F12 N2 O4 S4 Zn
Title of publication	Exploring through-bond and through-space magnetic communication in 1,3,2-dithiazolyl radical complexes
Authors of publication	Leckie, Dominique; Stephaniuk, Nadia T.; Arauzo, Ana; Campo, Javier; Rawson, Jeremy M.
Journal of publication	Chemical Communications
Year of publication	2019
Journal volume	55
Journal issue	66
Pages of publication	9849 - 9852
a	8.4587 ± 0.0004 Å
b	8.5811 ± 0.0005 Å
c	10.6424 ± 0.0005 Å
α	99.8 ± 0.003°
β	97.782 ± 0.002°
γ	91.947 ± 0.002°
Cell volume	752.91 ± 0.07 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0505
Residual factor for significantly intense reflections	0.0451
Weighted residual factors for significantly intense reflections	0.1005
Weighted residual factors for all reflections included in the refinement	0.1033
Goodness-of-fit parameter for all reflections included in the refinement	1.131
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
282777 (current)	2023-04-20	cod/ (saulius@starta) Updating COD bibliographies for 271 COD entries identified by R.M.	1552125.cif
217216	2019-07-24	cif/ Adding structures of 1552124, 1552125, 1552126 via cif-deposit CGI script.	1552125.cif