Information card for entry 2007343

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 ų
• 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 Fobs: No