Information card for entry 7005221

Structure parameters

• Formula: C47 H46 F3 N3 P2 S4 Te
• Calculated formula: C47 H46 F3 N3 P2 S4 Te
• SMILES: [Te](C(F)(F)F)(SC(=[S])N1CCCC1)SC(=S)N1CCCC1.P(c1ccccc1)(c1ccccc1)(c1ccccc1)=N[P+](c1ccccc1)(c1ccccc1)c1ccccc1
• 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: 15.8596 ± 0.0014 Å
• b: 14.8867 ± 0.0009 Å
• c: 19.4238 ± 0.0017 Å
• α: 90°
• β: 91.203 ± 0.007°
• γ: 90°
• Cell volume: 4584.9 ± 0.6 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0824
• Residual factor for significantly intense reflections: 0.0496
• Weighted residual factors for significantly intense reflections: 0.1166
• Weighted residual factors for all reflections included in the refinement: 0.1308
• Goodness-of-fit parameter for all reflections included in the refinement: 0.935
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No