Information card for entry 1565456

Structure parameters

• Formula: C16 H24 Br9 N2 Sb
• Calculated formula: C16 H24 Br9 N2 Sb
• SMILES: Cc1cc[n+](CC)cc1.Br[Sb]([Br-])(Br)(Br)(Br)Br.Br[Br-]Br.Cc1cc[n+](cc1)CC
• 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: 8.3421 ± 0.0008 Å
• b: 13.196 ± 0.0011 Å
• c: 13.1826 ± 0.0014 Å
• α: 90°
• β: 105.402 ± 0.01°
• γ: 90°
• Cell volume: 1399.1 ± 0.2 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: 0.0352
• Residual factor for significantly intense reflections: 0.0273
• Weighted residual factors for significantly intense reflections: 0.0523
• Weighted residual factors for all reflections included in the refinement: 0.0547
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No