Crystallography Open Database

Information card for entry 7232609

Preview

Coordinates	7232609.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H16 Br2 Co N4 S2
Calculated formula	C20 H16 Br2 Co N4 S2
Title of publication	Syntheses, structures, and magnetic properties of three two-dimensional cobalt(ii) single-ion magnets with a CoIIN4X2 octahedral geometry
Authors of publication	Shi, Le; Shen, Fu-Xing; Shao, Dong; Zhang, Yi-Quan; Wang, Xin-Yi
Journal of publication	CrystEngComm
Year of publication	2019
Journal volume	21
Journal issue	20
Pages of publication	3176
a	17.7131 ± 0.0009 Å
b	7.5346 ± 0.0004 Å
c	16.195 ± 0.0008 Å
α	90°
β	90°
γ	90°
Cell volume	2161.4 ± 0.19 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
Space group number	56
Hermann-Mauguin space group symbol	P c c n
Hall space group symbol	-P 2ab 2ac
Residual factor for all reflections	0.0301
Residual factor for significantly intense reflections	0.0257
Weighted residual factors for significantly intense reflections	0.0643
Weighted residual factors for all reflections included in the refinement	0.0669
Goodness-of-fit parameter for all reflections included in the refinement	1.07
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
223621 (current)	2019-11-07	cif/ Updating files of 7232609, 7232610 Original log message: Adding full bibliography for 7232609--7232610.cif.	7232609.cif
214641	2019-04-16	cif/ Adding structures of 7232609, 7232610 via cif-deposit CGI script.	7232609.cif