Information card for entry 7229203

Structure parameters

• Formula: C12 H16 Br8 N2 Te
• Calculated formula: C12 H16 Br8 N2 Te
• Title of publication: One-dimensional polymeric polybromotellurates (IV): structural and theoretical insights into halogen···halogen contacts
• Authors of publication: Usoltsev, Andrey N.; Adonin, Sergey A.; Novikov, Alexander S.; Samsonenko, Denis G.; Sokolov, Maksim Nailyevich; Fedin, Vladimir P.
• Journal of publication: CrystEngComm
• Year of publication: 2017
• a: 14.9365 ± 0.0009 Å
• b: 11.352 ± 0.0006 Å
• c: 15.1862 ± 0.001 Å
• α: 90°
• β: 113.086 ± 0.008°
• γ: 90°
• Cell volume: 2368.7 ± 0.3 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.0257
• Residual factor for significantly intense reflections: 0.021
• Weighted residual factors for significantly intense reflections: 0.0446
• Weighted residual factors for all reflections included in the refinement: 0.0461
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No