Information card for entry 2022114

Structure parameters

• Chemical name: Tetrakis(2-amino-3-methylpyridinium) di-μ-chlorido-bis[tetrachloridobismuth(III)]
• Formula: C24 H36 Bi2 Cl10 N8
• Calculated formula: C24 H36 Bi2 Cl10 N8
• SMILES: c1cc[nH+]c(c1C)N.c1([nH+]cccc1C)N.c1cc[nH+]c(c1C)N.c1([nH+]cccc1C)N.[Bi]1(Cl)(Cl)(Cl)(Cl)[Cl][Bi](Cl)(Cl)(Cl)(Cl)[Cl]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: 8.8144 ± 0.0003 Å
• b: 8.9982 ± 0.0003 Å
• c: 12.344 ± 0.0004 Å
• α: 76.784 ± 0.003°
• β: 87.111 ± 0.003°
• γ: 88.514 ± 0.003°
• Cell volume: 951.8 ± 0.06 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: 0.0277
• Residual factor for significantly intense reflections: 0.0241
• Weighted residual factors for significantly intense reflections: 0.0469
• Weighted residual factors for all reflections included in the refinement: 0.0486
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes