Crystallography Open Database

Information card for entry 4339755

Preview

Coordinates	4339755.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	technetium-difluoride-dioxide-hexafluoroarsenate
Chemical name	technetium-difluoride-dioxide-hexafluoroarsenate
Formula	As F10 H2 O2 Tc
Calculated formula	As F10 H2 O2 Tc
SMILES	[Tc](=O)(=O)(F)(F)([FH])[F][As](F)(F)(F)(F)F.F
Title of publication	Technetium fluoride trioxide, TcO3F, preparation and properties.
Authors of publication	Supeł, Joanna; Abram, Ulrich; Hagenbach, Adelheid; Seppelt, Konrad
Journal of publication	Inorganic chemistry
Year of publication	2007
Journal volume	46
Journal issue	14
Pages of publication	5591 - 5595
a	5.126 ± 0.003 Å
b	8.103 ± 0.007 Å
c	19.691 ± 0.013 Å
α	90°
β	95.57 ± 0.03°
γ	90°
Cell volume	814 ± 1 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	20 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0822
Residual factor for significantly intense reflections	0.0381
Weighted residual factors for significantly intense reflections	0.0757
Weighted residual factors for all reflections included in the refinement	0.0945
Goodness-of-fit parameter for all reflections included in the refinement	1.035
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4339755.cif
117520	2014-06-15	cif/ Adding structures of 4339755 via cif-deposit CGI script.	4339755.cif