Information card for entry 1565457

Structure parameters

• Formula: C8 H12 Br6 N Sb
• Calculated formula: C8 H12 Br6 N Sb
• SMILES: [Sb](Br)(Br)(Br)(Br)(Br)[Br-].[n+]1(C)ccc(C)c(C)c1
• 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: 8.3195 ± 0.0006 Å
• b: 8.9921 ± 0.0005 Å
• c: 12.336 ± 0.0009 Å
• α: 86.146 ± 0.005°
• β: 76.52 ± 0.006°
• γ: 71.872 ± 0.006°
• Cell volume: 852.87 ± 0.11 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: 0.0494
• Residual factor for significantly intense reflections: 0.0375
• Weighted residual factors for significantly intense reflections: 0.0811
• Weighted residual factors for all reflections included in the refinement: 0.0893
• Goodness-of-fit parameter for all reflections included in the refinement: 0.987
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No