Crystallography Open Database

Information card for entry 4002054

4002053 << 4002054 >> 4002055

Preview

Coordinates	4002054.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Molybdenum thiochloride
Formula	Cl6 Mo2 S2
Calculated formula	Cl6 Mo2 S2
Title of publication	One-Dimensional Molybdenum Thiochlorides and Their Use in High Surface Area MoSxChalcogels
Authors of publication	Islam, Saiful M.; Subrahmanyam, Kota S.; Malliakas, Christos D.; Kanatzidis, Mercouri G.
Journal of publication	Chemistry of Materials
Year of publication	2014
Journal volume	26
Journal issue	17
Pages of publication	5151
a	16.235 ± 0.003 Å
b	6.352 ± 0.0013 Å
c	12.077 ± 0.002 Å
α	90°
β	131.1 ± 0.03°
γ	90°
Cell volume	938.5 ± 0.5 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	3
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	0.0606
Residual factor for significantly intense reflections	0.045
Weighted residual factors for significantly intense reflections	0.0875
Weighted residual factors for all reflections included in the refinement	0.0921
Goodness-of-fit parameter for all reflections included in the refinement	1.119
Diffraction radiation probe	x-ray
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
178377 (current)	2016-03-21	cif/4/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/00.	4002054.cif
124647	2014-10-06	cif/ Updating files of 4002054, 4002055, 4002056 Original log message: Adding full bibliography for 4002054--4002056.cif.	4002054.cif
122570	2014-08-28	cif/ Adding structures of 4002054, 4002055, 4002056 via cif-deposit CGI script.	4002054.cif