Information card for entry 7058147

Structure parameters

• Formula: C12 H18 Br8 N2 O2 Te
• Calculated formula: C12 H18 Br8 N2 O2 Te
• Title of publication: Thermochromism of bromotellurates(iv): experimental insights
• Authors of publication: Shayapov, Vladimir R.; Usoltsev, Andrey N.; Adonin, Sergey A.; Sokolov, Maxim N.; Samsonenko, Denis G.; Fedin, Vladimir P.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2019
• Journal volume: 43
• Journal issue: 9
• Pages of publication: 3927
• a: 9.7234 ± 0.0005 Å
• b: 11.0724 ± 0.0005 Å
• c: 12.1082 ± 0.0007 Å
• α: 90°
• β: 109.028 ± 0.006°
• γ: 90°
• Cell volume: 1232.36 ± 0.12 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 2 K
• Number of distinct elements: 6
• 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: 0.0399
• Residual factor for significantly intense reflections: 0.0281
• Weighted residual factors for significantly intense reflections: 0.0429
• Weighted residual factors for all reflections included in the refinement: 0.046
• Goodness-of-fit parameter for all reflections included in the refinement: 0.972
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No