Crystallography Open Database

Information card for entry 2242020

2242019 << 2242020 >> 2242021

Preview

Structure parameters

Chemical name	Sodium pentapotassium dichloride bis(dithionate)
Formula	Cl2 K5 Na O12 S4
Calculated formula	Cl2 K5 Na O12 S4
SMILES	[O-]S(=O)(=O)S(=O)(=O)[O-].[Na+].[O-]S(S(=O)(=O)[O-])(=O)=O.[K+].[K+].[K+].[K+].[K+].[Cl-].[Cl-]
Title of publication	An unexpected oxidation: NaK~5~Cl~2~(S~2~O~6~)~2~ revisited
Authors of publication	Harrison, William T. A.; Plater, M. John
Journal of publication	Acta Crystallographica Section E
Year of publication	2017
Journal volume	73
Journal issue	2
Pages of publication	188 - 191
a	12.0421 ± 0.0001 Å
b	12.0421 ± 0.0001 Å
c	11.3925 ± 0.0002 Å
α	90°
β	90°
γ	90°
Cell volume	1652.05 ± 0.03 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	85
Hermann-Mauguin space group symbol	P 4/n
Hall space group symbol	-P 4a
Residual factor for all reflections	0.0162
Residual factor for significantly intense reflections	0.0153
Weighted residual factors for significantly intense reflections	0.0427
Weighted residual factors for all reflections included in the refinement	0.0432
Goodness-of-fit parameter for all reflections included in the refinement	1.059
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

Version history

Revision	Date	Message	Files
190485 (current)	2017-01-14	cif/ hkl/ Adding structures of 2242020 via cif-deposit CGI script.	2242020.cif 2242020.hkl