Information card for entry 2108872

Structure parameters

• Chemical name: Tris(<i>N</i>,<i>N</i>-dimethylethane-1,2-diammonium) bis[hexachloridobismuthate(III)]
• Formula: C12 H42 Bi2 Cl12 N6
• Calculated formula: C12 H42 Bi2 Cl12 N6
• Title of publication: Understanding distortions of inorganic substructures in chloridobismuthates(III)
• Authors of publication: Bujak, Maciej
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2021
• Journal volume: 77
• Journal issue: 5
• a: 27.5447 ± 0.0003 Å
• b: 10.14187 ± 0.00011 Å
• c: 12.38379 ± 0.00014 Å
• α: 90°
• β: 102.906 ± 0.0012°
• γ: 90°
• Cell volume: 3372.08 ± 0.07 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 5
• 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: 0.0165
• Residual factor for significantly intense reflections: 0.0156
• Weighted residual factors for significantly intense reflections: 0.037
• Weighted residual factors for all reflections included in the refinement: 0.0373
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes