Crystallography Open Database

Information card for entry 1518979

Preview

Coordinates	1518979.cif

Structure parameters

Formula	C8 H12 I O8 Tc2
Calculated formula	C8 H12 I O8 Tc2
SMILES	[I-].[Tc]1234[O]=C(C)O[Tc]4([O]=C(C)O2)(OC(C)=[O]3)[O]=C(C)O1
Title of publication	Hydrothermal synthesis and solid-state structures of polynuclear technetium iodide compounds
Authors of publication	William M. Kerlin; Frederic Poineau; Paul M. Forster; Kenneth R. Czerwinski; Alfred P. Sattelberger
Journal of publication	Inorganica Chimica Acta
Year of publication	2015
Journal volume	424
Pages of publication	329 - 335
a	7.1994 ± 0.0006 Å
b	14.5851 ± 0.0013 Å
c	7.1586 ± 0.0006 Å
α	90°
β	110.954 ± 0.001°
γ	90°
Cell volume	701.97 ± 0.1 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
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	0.0178
Residual factor for significantly intense reflections	0.0167
Weighted residual factors for significantly intense reflections	0.0419
Weighted residual factors for all reflections included in the refinement	0.0425
Goodness-of-fit parameter for all reflections included in the refinement	1.125
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
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1518979.cif
134661	2015-04-03	cif/ Adding structures of 1518979 via cif-deposit CGI script.	1518979.cif