Information card for entry 7714061

Structure parameters

• Formula: C12 H14 Cl2 F3 N O3 S Te
• Calculated formula: C12 H14 Cl2 F3 N O3 S Te
• SMILES: [Te]1(Cl)(OS(=O)(=O)C(F)(F)F)([N](=Cc2c1cccc2)C(C)(C)C)Cl
• Title of publication: N-Coordinated Tellurenium(II) and Telluronium(IV) cations: Synthesis, Structure and Hydrolysis.
• Authors of publication: Hejda, Martin; Doležal, Lukáš; Blahut, Jan; Hupf, Emanuel; Tydlitat, Jiri; Jambor, Roman; R°užička, Aleš; Beckmann, Jens; Dostál, Libor
• Journal of publication: Dalton Transactions
• Year of publication: 2023
• a: 8.7695 ± 0.0006 Å
• b: 10.55 ± 0.0008 Å
• c: 10.9648 ± 0.0008 Å
• α: 114.602 ± 0.003°
• β: 96.732 ± 0.003°
• γ: 106.032 ± 0.003°
• Cell volume: 854.61 ± 0.11 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0265
• Residual factor for significantly intense reflections: 0.0223
• Weighted residual factors for significantly intense reflections: 0.0524
• Weighted residual factors for all reflections included in the refinement: 0.0546
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No