Crystallography Open Database

Information card for entry 8102934

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Coordinates	8102934.cif

Structure parameters

Chemical name	dipotassium octa-μ~3~-bromohexabromo-octahedro-hexamolybdenate
Formula	Br14 K2 Mo6
Calculated formula	Br14 K2.005 Mo6
Title of publication	Crystal structure of dipotassium octakis(μ~3~-bromo)-hexabromo- octahedro-hexamolybdenate, K~2~[Mo~6~Br~14~]
Authors of publication	Xu, W.; Wang, P.; Zheng, Y.-Q.
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2006
Journal volume	221
Journal issue	2
Pages of publication	107 - 108
a	13.8 ± 0.0016 Å
b	13.8 ± 0.0016 Å
c	13.8 ± 0.0016 Å
α	90°
β	90°
γ	90°
Cell volume	2628.1 ± 0.5 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	3
Space group number	201
Hermann-Mauguin space group symbol	P n -3 :2
Hall space group symbol	-P 2ab 2bc 3
Residual factor for all reflections	0.1192
Residual factor for significantly intense reflections	0.0768
Weighted residual factors for significantly intense reflections	0.1483
Weighted residual factors for all reflections included in the refinement	0.1862
Goodness-of-fit parameter for all reflections included in the refinement	0.931
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
176728 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 8.	8102934.cif
107948	2014-03-25	cif/8/ (antanas@lokys.ibt.lt) Adding and updating bibliographic information: volume, authors, issue, first page, last page.	8102934.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	8102934.cif
13673	2011-03-06	../uploads/cif-deposit/cod/cif Adding structures of 8102934 via cif-deposit CGI script.	8102934.cif