Crystallography Open Database

Information card for entry 4329156

Preview

Coordinates	4329156.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Cl3 Tc
Calculated formula	Cl3 Tc
SMILES	[Tc+3].[Cl-].[Cl-].[Cl-]
Title of publication	β-Technetium Trichloride: Formation, Structure, and First-Principles Calculations
Authors of publication	Frederic Poineau; Erik V. Johnstone; Philippe F. Weck; Paul M. Forster; Eunja Kim; Kenneth R. Czerwinski; Alfred P. Sattelberger
Journal of publication	Inorganic Chemistry
Year of publication	2012
Journal volume	51
Pages of publication	4915 - 4917
a	5.986 ± 0.003 Å
b	9.725 ± 0.005 Å
c	6.194 ± 0.003 Å
α	90°
β	108.687 ± 0.006°
γ	90°
Cell volume	341.6 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	2
Space group number	12
Hermann-Mauguin space group symbol	C 1 2/m 1
Hall space group symbol	-C 2y
Residual factor for all reflections	0.0714
Residual factor for significantly intense reflections	0.0703
Weighted residual factors for significantly intense reflections	0.1765
Weighted residual factors for all reflections included in the refinement	0.1774
Goodness-of-fit parameter for all reflections included in the refinement	1.181
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
179394 (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 4/32/91.	4329156.cif
78196	2013-04-01	cif/ Adding structures of 4329156 via cif-deposit CGI script.	4329156.cif