Crystallography Open Database

Information card for entry 4335227

Preview

Coordinates	4335227.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	F12 N5 Na O Tc2
Calculated formula	F12 H20 N5 Na O Tc2
SMILES	F[Tc](F)(F)(F)(F)O[Tc](F)(F)(F)(F)F.[F-].[NH4+].[NH4+].[NH4+].[Na+].[F-].[NH4+].[NH4+]
Title of publication	Hexafluoridotechnetate(IV) Revisited
Authors of publication	Samundeeswari Mariappan Balasekaran; Matthias Molski; Johann Spandl; Adelheid Hagenbach; Roger Alberto; Ulrich Abram
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	7094 - 7099
a	7.583 ± 0.001 Å
b	15.35 ± 0.002 Å
c	6.135 ± 0.001 Å
α	90°
β	90°
γ	90°
Cell volume	714.11 ± 0.18 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	5
Space group number	55
Hermann-Mauguin space group symbol	P b a m
Hall space group symbol	-P 2 2ab
Residual factor for all reflections	0.0516
Residual factor for significantly intense reflections	0.0379
Weighted residual factors for significantly intense reflections	0.0819
Weighted residual factors for all reflections included in the refinement	0.0865
Goodness-of-fit parameter for all reflections included in the refinement	1.07
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
189097 (current)	2016-12-13	cif/4 (antanas@echidna.ibt.lt) Marking attached hydrogen atoms.	4335227.cif
179455	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/52.	4335227.cif
101136	2014-02-10	cif/ Adding structures of 4335227 via cif-deposit CGI script.	4335227.cif