Information card for entry 7229202

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: 9.17057 ± 0.00017 Å
• b: 15.7027 ± 0.0003 Å
• c: 17.5191 ± 0.0004 Å
• α: 76.7399 ± 0.0017°
• β: 79.5106 ± 0.0017°
• γ: 74.9556 ± 0.0016°
• Cell volume: 2351.14 ± 0.09 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0444
• Residual factor for significantly intense reflections: 0.0291
• Weighted residual factors for significantly intense reflections: 0.0541
• Weighted residual factors for all reflections included in the refinement: 0.0594
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No