Information card for entry 7005224

Structure parameters

• Formula: C60 H56 N4 S8 Te
• Calculated formula: C60 H56 N4 S8 Te
• SMILES: c1(ccccc1)CN(C1=[S][Te]234(S1)(SC(=[S]2)N(Cc1ccccc1)Cc1ccccc1)([S]=C(N(Cc1ccccc1)Cc1ccccc1)S3)[S]=C(N(Cc1ccccc1)Cc1ccccc1)S4)Cc1ccccc1
• 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: 15.406 ± 0.0015 Å
• b: 15.406 ± 0.0015 Å
• c: 12.1612 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2886.4 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 114
• Hermann-Mauguin space group symbol: P -4 21 c
• Hall space group symbol: P -4 2n
• Residual factor for all reflections: 0.0851
• Residual factor for significantly intense reflections: 0.0436
• Weighted residual factors for significantly intense reflections: 0.0756
• Weighted residual factors for all reflections included in the refinement: 0.0874
• Goodness-of-fit parameter for all reflections included in the refinement: 0.95
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No