Crystallography Open Database

Information card for entry 1508414

Preview

Coordinates	1508414.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Tri-natrium-molybdo(III)hexa-chlorid
Formula	Cl6 Mo Na3
Calculated formula	Cl6 Mo Na3
SMILES	[Mo](Cl)(Cl)(Cl)([Cl-])([Cl-])[Cl-].[Na+].[Na+].[Na+]
Title of publication	Crystal Structure of Na3MoCl6
Authors of publication	Beran, Martin; Meyer, Gerd
Journal of publication	Crystals
Year of publication	2012
Journal volume	1
Journal issue	3
Pages of publication	99 - 103
a	6.8712 ± 0.0009 Å
b	6.8712 ± 0.0009 Å
c	12.2531 ± 0.0017 Å
α	90°
β	90°
γ	120°
Cell volume	501 ± 0.12 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	3
Space group number	163
Hermann-Mauguin space group symbol	P -3 1 c
Hall space group symbol	-P 3 2c
Residual factor for all reflections	0.035
Residual factor for significantly intense reflections	0.0238
Weighted residual factors for significantly intense reflections	0.0671
Weighted residual factors for all reflections included in the refinement	0.0706
Goodness-of-fit parameter for all reflections included in the refinement	1.062
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
176729 (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 1.	1508414.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1508414.cif
69134	2012-12-03	cif/ Adding structures of 1508414 via cif-deposit CGI script.	1508414.cif