Crystallography Open Database

Information card for entry 2007343

2007342 << 2007343 >> 2007344

Preview

Coordinates	2007343.cif
Original IUCr paper	HTML

Structure parameters

Common name	Tetra-Caesium-Di-Tantalum-Undeca-Sulfide
Formula	Cs4 S11 Ta2
Calculated formula	Cs4 S11 Ta2
SMILES	[Ta]1234([S])(S[S]1[Ta]15(S2)(S[S]45)(SS1)[S])SS3.[Cs+].[Cs+].[Cs+].[Cs+]
Title of publication	New Compounds Containing the Complex Anion [Ta~2~S~11~]^4{-^}; <i>A</i>~4~Ta~2~S~11~ (<i>A</i> = Rb, Cs)
Authors of publication	Dürichen, Peter; Bensch, Wolfgang
Journal of publication	Acta Crystallographica Section C
Year of publication	1998
Journal volume	54
Journal issue	6
Pages of publication	706 - 708
a	13.913 ± 0.004 Å
b	7.989 ± 0.002 Å
c	18.327 ± 0.005 Å
α	90°
β	90°
γ	90°
Cell volume	2037.1 ± 1 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	3
Space group number	29
Hermann-Mauguin space group symbol	P c a 21
Hall space group symbol	P 2c -2ac
Residual factor for all reflections	0.043
Residual factor for significantly intense reflections	0.038
Weighted residual factors for all reflections	0.104
Weighted residual factors for significantly intense reflections	0.101
Goodness-of-fit parameter for all reflections	1.07
Goodness-of-fit parameter for significantly intense reflections	1.09
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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