Crystallography Open Database

Information card for entry 4002056

4002055 << 4002056 >> 4002057

Preview

Coordinates	4002056.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Cl3 Mo Se
Calculated formula	Cl3 Mo Se
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	16.381 ± 0.003 Å
b	6.5399 ± 0.0013 Å
c	12.107 ± 0.002 Å
α	90°
β	130.85 ± 0.03°
γ	90°
Cell volume	981.1 ± 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	0.0208
Residual factor for significantly intense reflections	0.0159
Weighted residual factors for significantly intense reflections	0.0341
Weighted residual factors for all reflections included in the refinement	0.0351
Goodness-of-fit parameter for all reflections included in the refinement	0.991
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.	4002056.cif
124647	2014-10-06	cif/ Updating files of 4002054, 4002055, 4002056 Original log message: Adding full bibliography for 4002054--4002056.cif.	4002056.cif
122570	2014-08-28	cif/ Adding structures of 4002054, 4002055, 4002056 via cif-deposit CGI script.	4002056.cif