Information card for entry 7019958

Structure parameters

• Formula: C16 H14 Br4 O5 Te2
• Calculated formula: C16 H14 Br4 O5 Te2
• SMILES: [Te]1(Br)(Br)(O[Te]2(Br)(Br)[O]=C(OC)c3c2cccc3)[O]=C(OC)c2c1cccc2
• Title of publication: Isolation and molecular structures of novel organotellurium(iv) halides, oxyhalide and mixed halide.
• Authors of publication: Rakesh, Prakul; Singh, Harkesh B.; Butcher, Ray J.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 35
• Pages of publication: 10707 - 10714
• a: 14.8602 ± 0.0011 Å
• b: 17.5288 ± 0.0008 Å
• c: 8.9476 ± 0.0005 Å
• α: 90°
• β: 102.74 ± 0.007°
• γ: 90°
• Cell volume: 2273.3 ± 0.2 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 5
• 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: 0.1641
• Residual factor for significantly intense reflections: 0.0977
• Weighted residual factors for significantly intense reflections: 0.1766
• Weighted residual factors for all reflections included in the refinement: 0.1965
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No