Crystallography Open Database

Information card for entry 4329921

Preview

Coordinates	4329921.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Cl4 Tc
Calculated formula	Cl4 Tc
SMILES	[Tc+4].[Cl-].[Cl-].[Cl-].[Cl-]
Title of publication	Technetium Tetrachloride Revisited: A Precursor to Lower-Valent Binary Technetium Chlorides
Authors of publication	Erik V. Johnstone; Frederic Poineau; Paul M. Forster; Longzou Ma; Thomas Hartmann; Andrew Cornelius; Daniel Antonio; Alfred P. Sattelberger; Kenneth R. Czerwinski
Journal of publication	Inorganic Chemistry
Year of publication	2012
Journal volume	51
Pages of publication	8462 - 8467
a	6.0111 ± 0.0004 Å
b	11.5308 ± 0.0009 Å
c	13.9334 ± 0.001 Å
α	90°
β	90°
γ	90°
Cell volume	965.76 ± 0.12 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	2
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0249
Residual factor for significantly intense reflections	0.0224
Weighted residual factors for significantly intense reflections	0.0586
Weighted residual factors for all reflections included in the refinement	0.0595
Goodness-of-fit parameter for all reflections included in the refinement	1.208
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
179402 (current)	2016-03-23	cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/99.	4329921.cif
79164	2013-04-04	cif/ Adding structures of 4329921 via cif-deposit CGI script.	4329921.cif