Crystallography Open Database

Information card for entry 7018203

Preview

Coordinates	7018203.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Br4 Cs1.11 O1.78 Tc
Calculated formula	Br4 Cs1.111 O1.781 Tc
Title of publication	Multi-configurational quantum chemical studies of the Tc(2)X(8)(n-) (X = Cl, Br; n = 2, 3) anions. Crystallographic structure of octabromoditechnetate(3(-)).
Authors of publication	Poineau, Frederic; Forster, Paul M.; Todorova, Tanya K.; Gagliardi, Laura; Sattelberger, Alfred P.; Czerwinski, Kenneth R.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2012
Journal volume	41
Journal issue	10
Pages of publication	2869 - 2872
a	13.571 ± 0.003 Å
b	13.571 ± 0.003 Å
c	9.322 ± 0.002 Å
α	90°
β	90°
γ	120°
Cell volume	1486.8 ± 0.6 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	154
Hermann-Mauguin space group symbol	P 32 2 1
Hall space group symbol	P 32 2"
Residual factor for all reflections	0.0283
Residual factor for significantly intense reflections	0.0276
Weighted residual factors for significantly intense reflections	0.0646
Weighted residual factors for all reflections included in the refinement	0.0647
Goodness-of-fit parameter for all reflections included in the refinement	1.23
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
179886 (current)	2016-03-25	cif/7/01/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/01/82.	7018203.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7018203.cif
37686	2012-03-04	../uploads/cif-deposit/cod/cif Adding structures of 7018203 via cif-deposit CGI script.	7018203.cif