Information card for entry 7039029

Structure parameters

• Formula: C23 H31 Br N2 Se Te
• Calculated formula: C23 H31 Br N2 Se Te
• SMILES: [Te]([Se]=C1N(c2ccccc2N1CCCC)CCCC)(Br)c1c(cccc1C)C
• Title of publication: Selone-stabilized aryltellurenyl cations.
• Authors of publication: Yadav, Sangeeta; Raju, Saravanan; Singh, Harkesh B.; Butcher, Ray J.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 20
• Pages of publication: 8458 - 8467
• a: 7.455 ± 0.003 Å
• b: 17 ± 0.007 Å
• c: 18.707 ± 0.008 Å
• α: 90°
• β: 92.214 ± 0.007°
• γ: 90°
• Cell volume: 2369.1 ± 1.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.0603
• Residual factor for significantly intense reflections: 0.0541
• Weighted residual factors for significantly intense reflections: 0.1289
• Weighted residual factors for all reflections included in the refinement: 0.1318
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No