Crystallography Open Database

Information card for entry 2241716

Preview

Structure parameters

Chemical name	Hexakis(dimethyl sulfoxide-κ<i>O</i>)manganese(II) diiodide
Formula	C12 H36 I2 Mn O6 S6
Calculated formula	C12 H36 I2 Mn O6 S6
SMILES	[Mn]([O]=S(C)C)([O]=S(C)C)([O]=S(C)C)([O]=S(C)C)([O]=S(C)C)[O]=S(C)C.[I-].[I-]
Title of publication	Crystal structure of hexakis(dimethyl sulfoxide-κ<i>O</i>)manganese(II) diiodide
Authors of publication	Glatz, Mathias; Schroffenegger, Martina; Weil, Matthias; Kirchner, Karl
Journal of publication	Acta Crystallographica Section E
Year of publication	2016
Journal volume	72
Journal issue	7
Pages of publication	904 - 906
a	12.0996 ± 0.0014 Å
b	24.511 ± 0.003 Å
c	11.2999 ± 0.0013 Å
α	90°
β	119.577 ± 0.003°
γ	90°
Cell volume	2914.6 ± 0.6 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.0649
Residual factor for significantly intense reflections	0.0441
Weighted residual factors for significantly intense reflections	0.068
Weighted residual factors for all reflections included in the refinement	0.0742
Goodness-of-fit parameter for all reflections included in the refinement	1.155
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
301807 (current)	2025-08-19	Add cross-references to PubChem compounds in COD range 2/24 Each referenced PubChem compound corresponds to the full crystal structure.	2241716.cif 2241716.hkl
183353	2016-06-11	cif/ hkl/ Adding structures of 2241716 via cif-deposit CGI script.	2241716.cif 2241716.hkl