Crystallography Open Database

Information card for entry 4335233

Preview

Coordinates	4335233.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Tetramethylammonium hexafluorotechnetate(IV)
Chemical name	Tetramethyl ammonium hexafluorotechnetate(IV)
Formula	C8 H24 F6 N2 Tc
Calculated formula	C8 H24 F6 N2 Tc
SMILES	C[N+](C)(C)C.F[Tc](F)(F)(F)([F-])[F-].C[N+](C)(C)C
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	7.992 ± 0.001 Å
b	7.992 ± 0.001 Å
c	20.039 ± 0.001 Å
α	90°
β	90°
γ	120°
Cell volume	1108.5 ± 0.2 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	5
Space group number	148
Hermann-Mauguin space group symbol	R -3 :H
Hall space group symbol	-R 3
Residual factor for all reflections	0.0486
Residual factor for significantly intense reflections	0.0481
Weighted residual factors for significantly intense reflections	0.1189
Weighted residual factors for all reflections included in the refinement	0.1193
Goodness-of-fit parameter for all reflections included in the refinement	1.138
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
179455 (current)	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.	4335233.cif
171491	2015-12-13	cif/ (antanas@echidna.ibt.lt) Removing surrounding qoutes ("'") from the _chemical_name_systematic tag values in multiple entries in range 4.	4335233.cif
101142	2014-02-10	cif/ Adding structures of 4335233 via cif-deposit CGI script.	4335233.cif