Crystallography Open Database

Information card for entry 4339754

Preview

Coordinates	4339754.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	technetium-difluoride-dioxide-hexafluoroantimonate
Chemical name	technetium-difluoride-dioxide-hexafluoroantimonate
Formula	F10 H2 O2 Sb Tc
Calculated formula	F10 H2 O2 Sb Tc
SMILES	[Tc](F)(F)(=O)(=O)([FH])[F][Sb](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	8.529 ± 0.002 Å
b	9.038 ± 0.002 Å
c	11.343 ± 0.002 Å
α	90°
β	108.145 ± 0.011°
γ	90°
Cell volume	830.9 ± 0.3 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/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0143
Residual factor for significantly intense reflections	0.0132
Weighted residual factors for significantly intense reflections	0.0294
Weighted residual factors for all reflections included in the refinement	0.0297
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
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.	4339754.cif
117519	2014-06-15	cif/ Adding structures of 4339754 via cif-deposit CGI script.	4339754.cif