Crystallography Open Database

Information card for entry 2238718

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Structure parameters

Chemical name	Hexakis(dimethyl sulfoxide-κ<i>O</i>)zinc(II) polyiodide
Formula	C12 H36 I4 O6 S6 Zn
Calculated formula	C12 H36 I4 O6 S6 Zn
SMILES	CS(C)=[O][Zn]([O]=S(C)C)([O]=S(C)C)([O]=S(C)C)([O]=S(C)C)[O]=S(C)C.[I-].II.[I-]
Title of publication	Hexakis(dimethyl sulfoxide-κ<i>O</i>)zinc(II) polyiodide
Authors of publication	Garzón-Tovar, Luis; Duarte-Ruiz, Álvaro; Fanwick, Phillip E.
Journal of publication	Acta Crystallographica Section E
Year of publication	2013
Journal volume	69
Journal issue	11
Pages of publication	m618
a	11.8399 ± 0.0007 Å
b	11.8399 ± 0.0007 Å
c	19.711 ± 0.0012 Å
α	90°
β	90°
γ	120°
Cell volume	2393 ± 0.2 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	6
Space group number	148
Hermann-Mauguin space group symbol	R -3 :H
Hall space group symbol	-R 3
Residual factor for all reflections	0.066
Residual factor for significantly intense reflections	0.047
Weighted residual factors for significantly intense reflections	0.09
Weighted residual factors for all reflections included in the refinement	0.104
Goodness-of-fit parameter for all reflections included in the refinement	1.174
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
301806 (current)	2025-08-19	Add cross-references to PubChem compounds in COD range 2/23 Each referenced PubChem compound corresponds to the full crystal structure.	2238718.cif
176435	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries from ranges 1, 2.	2238718.cif
91116	2013-12-09	cif/ Adding structures of 2238718 via cif-deposit CGI script.	2238718.cif