Information card for entry 1565454

Structure parameters

• Formula: C14 H20 Br9 N2 Sb
• Calculated formula: C14 H20 Br9 N2 Sb
• SMILES: C[n+]1ccccc1C.[Br-][Sb](Br)(Br)(Br)(Br)Br.Br[Br-]Br.C[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: 7.3284 ± 0.0003 Å
• b: 10.5875 ± 0.0005 Å
• c: 16.7538 ± 0.0008 Å
• α: 90°
• β: 96.005 ± 0.004°
• γ: 90°
• Cell volume: 1292.78 ± 0.1 ų
• Cell temperature: 135 ± 2 K
• Ambient diffraction temperature: 135 ± 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: 0.059
• Residual factor for significantly intense reflections: 0.0381
• Weighted residual factors for significantly intense reflections: 0.074
• Weighted residual factors for all reflections included in the refinement: 0.0828
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No