Information card for entry 2236551

Structure parameters

• Common name: (2,6-DMPH)2.IBr2.Br
• Chemical name: Bis(2,6-dimethylpyridinium) dibromoiodate bromide
• Formula: C14 H20 Br3 I N2
• Calculated formula: C14 H20 Br3 I N2
• SMILES: c1(cccc([nH+]1)C)C.[I-](Br)Br.[Br-].c1(cccc(C)[nH+]1)C
• Title of publication: Bis(2,6-dimethylpyridinium) dibromoiodate bromide
• Authors of publication: Al-Far, Rawhi; Ali, Basem F.; Haddad, Salim F.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 9
• Pages of publication: o2743
• a: 13.8627 ± 0.0016 Å
• b: 11.3622 ± 0.0009 Å
• c: 13.8957 ± 0.0015 Å
• α: 90°
• β: 108.885 ± 0.013°
• γ: 90°
• Cell volume: 2070.9 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.0656
• Residual factor for significantly intense reflections: 0.04
• Weighted residual factors for significantly intense reflections: 0.0897
• Weighted residual factors for all reflections included in the refinement: 0.1041
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes