Information card for entry 2022115

Structure parameters

• Chemical name: Tetrakis(2-amino-3-methylpyridinium) di-μ-bromido-bis[tetrabromidobismuth(III)]
• Formula: C24 H36 Bi2 Br10 N8
• Calculated formula: C24 H36 Bi2 Br10 N8
• SMILES: c1cc[nH+]c(c1C)N.c1([nH+]cccc1C)N.c1cc[nH+]c(c1C)N.c1([nH+]cccc1C)N.[Bi]1(Br)(Br)(Br)(Br)[Br][Bi](Br)(Br)(Br)(Br)[Br]1
• Title of publication: Halobismuth(III) salts with substituted aminopyridinium cations
• Authors of publication: Senior, Levi; Linden, Anthony
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2020
• Journal volume: 76
• Journal issue: 6
• a: 9.2145 ± 0.0003 Å
• b: 9.0678 ± 0.0002 Å
• c: 12.6314 ± 0.0004 Å
• α: 75.476 ± 0.003°
• β: 86.926 ± 0.003°
• γ: 89.221 ± 0.002°
• Cell volume: 1020.22 ± 0.05 ų
• Cell temperature: 160 ± 2 K
• Ambient diffraction temperature: 160 ± 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: 0.0347
• Residual factor for significantly intense reflections: 0.0282
• Weighted residual factors for significantly intense reflections: 0.0558
• Weighted residual factors for all reflections included in the refinement: 0.0592
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes