Information card for entry 7058529

Structure parameters

• Formula: C27 H36 Cl N3 O Te
• Calculated formula: C27 H36 Cl N3 O Te
• SMILES: [Te+](c1c(cccc1)CN(C)C)(c1c(cccc1)CN(C)C)c1c(cccc1)CN(C)C.[Cl-].O
• Title of publication: Experimental evidence for hypercoordination in triorganotelluronium halides with 2-(Me2NCH2)C6H4 groups
• Authors of publication: Beleagă, Anca; Denes, Eleonora; Silvestru, Cristian; Silvestru, Anca
• Journal of publication: New Journal of Chemistry
• Year of publication: 2019
• Journal volume: 43
• Journal issue: 29
• Pages of publication: 11585
• a: 13.3319 ± 0.0014 Å
• b: 13.3319 ± 0.0014 Å
• c: 13.02 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 2004.1 ± 0.5 ų
• Cell temperature: 297 ± 2 K
• Ambient diffraction temperature: 297 ± 2 K
• Number of distinct elements: 6
• Space group number: 146
• Hermann-Mauguin space group symbol: R 3 :H
• Hall space group symbol: R 3
• Residual factor for all reflections: 0.0306
• Residual factor for significantly intense reflections: 0.0296
• Weighted residual factors for significantly intense reflections: 0.0558
• Weighted residual factors for all reflections included in the refinement: 0.0563
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No