Information card for entry 2005193

Structure parameters

• Chemical name: Bromobis(diethyldithiocarbamato)-4-methoxyphenyltellurium(IV)
• Formula: C17 H27 Br N2 O S4 Te
• Calculated formula: C17 H27 Br N2 O S4 Te
• SMILES: C1(=[S][Te]2(S1)(Br)(c1ccc(OC)cc1)SC(=[S]2)N(CC)CC)N(CC)CC
• Title of publication: Bromobis(diethyldithiocarbamato)(4-methoxyphenyl)tellurium(IV)
• Authors of publication: Husebye, S.; Engebretsen, T.; Rudd, M. D.; Lindeman, S. V.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 8
• Pages of publication: 2022 - 2024
• a: 9.977 ± 0.002 Å
• b: 14.009 ± 0.003 Å
• c: 16.462 ± 0.003 Å
• α: 90°
• β: 91.21 ± 0.03°
• γ: 90°
• Cell volume: 2300.3 ± 0.8 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 2 K
• Number of distinct elements: 7
• 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: 0.0333
• Residual factor for significantly intense reflections: 0.0278
• Weighted residual factors for all reflections: 0.088
• Weighted residual factors for significantly intense reflections: 0.0748
• Goodness-of-fit parameter for all reflections: 1.028
• Goodness-of-fit parameter for significantly intense reflections: 1.05
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No