Crystallography Open Database

Information card for entry 4130594

Preview

Coordinates	4130594.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	[QT][GaBr4]
Formula	C6 Br4 Cl2 Ga N2 S4
Calculated formula	C6 Br4 Cl2 Ga N2 S4
Title of publication	Spin Frustration in an Organic Radical Ion Salt Based on a Kagome-Coupled Chain Structure.
Authors of publication	Postulka, Lars; Winter, Stephen M.; Mihailov, Adam G.; Mailman, Aaron; Assoud, Abdeljalil; Robertson, Craig M.; Wolf, Bernd; Lang, Michael; Oakley, Richard T.
Journal of publication	Journal of the American Chemical Society
Year of publication	2016
Journal volume	138
Journal issue	34
Pages of publication	10738 - 10741
a	13.6489 ± 0.0004 Å
b	13.6489 ± 0.0004 Å
c	7.9023 ± 0.0003 Å
α	90°
β	90°
γ	120°
Cell volume	1274.91 ± 0.07 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
Space group number	143
Hermann-Mauguin space group symbol	P 3
Hall space group symbol	P 3
Residual factor for all reflections	0.0695
Residual factor for significantly intense reflections	0.0436
Weighted residual factors for significantly intense reflections	0.079
Weighted residual factors for all reflections included in the refinement	0.0866
Goodness-of-fit parameter for all reflections included in the refinement	1.105
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
240994 (current)	2019-11-25	cif/ Adding structures of 4130594 via cif-deposit CGI script.	4130594.cif