Information card for entry 2022116

Structure parameters

• Chemical name: Bis(4-amino-3-ammoniopyridinium) di-μ-chlorido-bis[tetrachloridobismuth(III)] dihydrate
• Formula: C10 H22 Bi2 Cl10 N6 O2
• Calculated formula: C10 H22 Bi2 Cl10 N6 O2
• 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: 18.0583 ± 0.0002 Å
• b: 12.0745 ± 0.00012 Å
• c: 13.438 ± 0.00015 Å
• α: 90°
• β: 104.08 ± 0.0011°
• γ: 90°
• Cell volume: 2842.05 ± 0.05 ų
• Cell temperature: 160 ± 2 K
• Ambient diffraction temperature: 160 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0181
• Residual factor for significantly intense reflections: 0.0155
• Weighted residual factors for significantly intense reflections: 0.0289
• Weighted residual factors for all reflections included in the refinement: 0.0296
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes