Information card for entry 7005220

Structure parameters

• Formula: C31 H56 Cs F3 N2 O10 S4 Te
• Calculated formula: C31 H56 Cs F3 N2 O10 S4 Te
• SMILES: [Te](C(F)(F)F)(SC(=S)N1CCCC1)SC(=S)N1CCCC1.[Cs]123456([O]7CC[O]1CC[O]2CC[O]3CC[O]4CC7)[O]1CC[O]5CCOCC[O]6CCOCC1
• Title of publication: Perfluoroalkyl(dithiocarbamato) tellurium(II) compounds.
• Authors of publication: Tyrra, Wieland; Naumann, Dieter; Buslei, Sigrid; Kremer, Silke; Pantenburg, Ingo; Scherer, Harald
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2007
• Journal issue: 18
• Pages of publication: 1829 - 1837
• a: 13.1917 ± 0.0013 Å
• b: 13.1781 ± 0.0014 Å
• c: 14.9388 ± 0.0015 Å
• α: 87.971 ± 0.008°
• β: 78.721 ± 0.008°
• γ: 61.217 ± 0.007°
• Cell volume: 2226.9 ± 0.4 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0871
• Residual factor for significantly intense reflections: 0.0689
• Weighted residual factors for significantly intense reflections: 0.1893
• Weighted residual factors for all reflections included in the refinement: 0.203
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No