Crystallography Open Database

Information card for entry 8103110

Preview

Coordinates	8103110.cif

Structure parameters

Chemical name	poly[(μ~3~-ethylene-dithiodiacetato- κ^6^-S, S^'^,O, O^'^: O^''^: O^'''^)manganese(II)]
Formula	C6 H8 Mn O4 S2
Calculated formula	C6 H8 Mn O4 S2
Title of publication	Crystal structure of (μ3-ethylenedithiodiacetato-κ6-S,S',O,O':O'':O''')manganese(II), Mn(C6H8O4S2)
Authors of publication	Zhong-Xiang Du; Gui-Ying Zhang
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2011
Journal volume	226
Journal issue	1
Pages of publication	33
a	9.3104 ± 0.0015 Å
b	5.7038 ± 0.0009 Å
c	8.2585 ± 0.0014 Å
α	90°
β	90°
γ	90°
Cell volume	438.56 ± 0.12 Å³
Cell temperature	294 ± 2 K
Ambient diffraction temperature	294 ± 2 K
Number of distinct elements	5
Space group number	18
Hermann-Mauguin space group symbol	P 21 21 2
Hall space group symbol	P 2 2ab
Residual factor for all reflections	0.0165
Residual factor for significantly intense reflections	0.0157
Weighted residual factors for significantly intense reflections	0.0423
Weighted residual factors for all reflections included in the refinement	0.0428
Goodness-of-fit parameter for all reflections included in the refinement	1.057
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
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	8103110.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	8103110.cif
29049	2011-11-02	../uploads/cif-deposit/cod/cif Adding structures of 8103110 via cif-deposit CGI script.	8103110.cif