Crystallography Open Database

Information card for entry 2311394

Preview

Coordinates	2311394.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	Dipotassium tetrathiocyanatomercurate(II)
Formula	C4 Hg K2 N4 S4
Calculated formula	C4 Hg K2 N4 S4
SMILES	[K+].C(#N)S[Hg](SC#N)(SC#N)SC#N.[K+]
Title of publication	Redetermination of the crystal structure of K<sub>2</sub>Hg(SCN)<sub>4</sub>.
Authors of publication	Bandemehr, Jascha; Conrad, Matthias; Kraus, Florian
Journal of publication	Acta crystallographica. Section E, Crystallographic communications
Year of publication	2017
Journal volume	73
Journal issue	Pt 7
Pages of publication	1073 - 1075
a	10.8154 ± 0.0009 Å
b	9.3243 ± 0.0007 Å
c	13.3313 ± 0.0011 Å
α	90°
β	106.648 ± 0.006°
γ	90°
Cell volume	1288.06 ± 0.18 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
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	0.0347
Residual factor for significantly intense reflections	0.0244
Weighted residual factors for significantly intense reflections	0.0499
Weighted residual factors for all reflections included in the refinement	0.0533
Goodness-of-fit parameter for all reflections included in the refinement	1.078
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
245850 (current)	2019-12-25	cif/ Adding structures of 2311394 via cif-deposit CGI script.	2311394.cif