Information card for entry 7229200

Structure parameters

• Formula: C10 H12 Br8 N2 Te
• Calculated formula: C10 H12 Br8 N2 Te
• SMILES: c1cccc[nH+]1.Br[Te](Br)(Br)(Br)([Br-])[Br-].BrBr.c1cccc[nH+]1
• 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: 17.3078 ± 0.0006 Å
• b: 9.5123 ± 0.0003 Å
• c: 13.6988 ± 0.0005 Å
• α: 90°
• β: 107.821 ± 0.004°
• γ: 90°
• Cell volume: 2147.11 ± 0.14 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: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0254
• Residual factor for significantly intense reflections: 0.0211
• Weighted residual factors for significantly intense reflections: 0.0443
• Weighted residual factors for all reflections included in the refinement: 0.0457
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No