Information card for entry 7005222

Structure parameters

• Formula: C52 H44 Cl F3 N2 P2 S2 Te
• Calculated formula: C52 H44 Cl F3 N2 P2 S2 Te
• SMILES: [Te](Cl)(C(F)(F)F)SC(=S)N(Cc1ccccc1)Cc1ccccc1.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: 15.3944 ± 0.0008 Å
• b: 14.7103 ± 0.0009 Å
• c: 20.9587 ± 0.0011 Å
• α: 90°
• β: 94.076 ± 0.004°
• γ: 90°
• Cell volume: 4734.2 ± 0.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0499
• Residual factor for significantly intense reflections: 0.0383
• Weighted residual factors for significantly intense reflections: 0.1027
• Weighted residual factors for all reflections included in the refinement: 0.1107
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No