Information card for entry 7058143

Structure parameters

• Formula: C14 H20.5 Br6 N2 O0.25 Te
• Calculated formula: C14 H20 Br6 N2 O0.25 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: 15.3224 ± 0.0004 Å
• b: 13.0117 ± 0.0004 Å
• c: 23.4808 ± 0.0007 Å
• α: 90°
• β: 94.188 ± 0.003°
• γ: 90°
• Cell volume: 4668.9 ± 0.2 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0303
• Residual factor for significantly intense reflections: 0.0274
• Weighted residual factors for significantly intense reflections: 0.0625
• Weighted residual factors for all reflections included in the refinement: 0.0632
• Goodness-of-fit parameter for all reflections included in the refinement: 1.233
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No