Crystallography Open Database

Information card for entry 4339751

Preview

Coordinates	4339751.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	F11 K2 O27 Tc9
Calculated formula	F11 K2 O27 Tc9
SMILES	[Tc]12(=O)(=O)(=O)[F][Tc]3(=O)(=O)(=O)[F][Tc](=O)(=O)(=O)([F]1)[F]23.[Tc]12(=O)(=O)(=O)[F][Tc]3(=O)(=O)(=O)[F][Tc](=O)(=O)(=O)([F]1)[F]23.[Tc](=O)(=O)(=O)F.[Tc](=O)(=O)(=O)F.[Tc](=O)(=O)(=O)F.[K+].[K+]
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	8.2721 ± 0.001 Å
b	14.1477 ± 0.0011 Å
c	24.749 ± 0.003 Å
α	90°
β	92.719 ± 0.01°
γ	90°
Cell volume	2893.1 ± 0.5 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	20 K
Number of distinct elements	4
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	0.0628
Residual factor for significantly intense reflections	0.036
Weighted residual factors for significantly intense reflections	0.0677
Weighted residual factors for all reflections included in the refinement	0.077
Goodness-of-fit parameter for all reflections included in the refinement	1.029
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
179500 (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 4/33/97.	4339751.cif
117516	2014-06-15	cif/ Adding structures of 4339751 via cif-deposit CGI script.	4339751.cif