Information card for entry 1565455

Structure parameters

• Formula: C16 H24 Br9 N2 Sb
• Calculated formula: C16 H24 Br9 N2 Sb
• SMILES: CC[n+]1ccccc1C.Br[Sb]([Br-])(Br)(Br)(Br)Br.Br[Br-]Br.CC[n+]1ccccc1C
• Title of publication: Five new Sb(V) bromide complexes and their polybromide derivatives with pyridinium-type cations: Structures, thermal stability and features of halogen⋯halogen contacts in solid state
• Authors of publication: Adonin, Sergey A.; Bondarenko, Mikhail A.; Novikov, Alexander S.; Plyusnin, Pavel E.; Korolkov, Ilya V.; Sokolov, Maxim N.; Fedin, Vladimir P.
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2020
• Journal volume: 502
• Pages of publication: 119278
• a: 11.4927 ± 0.0004 Å
• b: 7.3613 ± 0.0002 Å
• c: 16.9266 ± 0.0006 Å
• α: 90°
• β: 100.782 ± 0.003°
• γ: 90°
• Cell volume: 1406.73 ± 0.08 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 2 K
• Number of distinct elements: 5
• 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: 0.0409
• Residual factor for significantly intense reflections: 0.0278
• Weighted residual factors for significantly intense reflections: 0.0452
• Weighted residual factors for all reflections included in the refinement: 0.0491
• Goodness-of-fit parameter for all reflections included in the refinement: 0.98
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No