Information card for entry 2022868

Structure parameters

• Chemical name: Bis(3-carboxy-1-methylpyridinium) octabromide
• Formula: C14 H16 Br8 N2 O4
• Calculated formula: C14 H16 Br8 N2 O4
• Title of publication: Crystal structure of bis-(3-carb-oxy-1-methyl-pyrid-inium) octa-bromide.
• Authors of publication: Sirenko, Valerii Y.; Naumova, Dina D.; Golenya, Irina A.; Shova, Sergiu; Gural'skiy, Il'ya A.
• Journal of publication: Acta crystallographica. Section E, Crystallographic communications
• Year of publication: 2023
• Journal volume: 79
• Journal issue: Pt 11
• Pages of publication: 977 - 981
• a: 6.8537 ± 0.0005 Å
• b: 7.0873 ± 0.0006 Å
• c: 14.5145 ± 0.0006 Å
• α: 95.746 ± 0.005°
• β: 91.156 ± 0.004°
• γ: 115.002 ± 0.007°
• Cell volume: 634.23 ± 0.08 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 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: 0.0975
• Residual factor for significantly intense reflections: 0.0473
• Weighted residual factors for significantly intense reflections: 0.062
• Weighted residual factors for all reflections included in the refinement: 0.0748
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0231
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes