Information card for entry 2218038

Structure parameters

• Common name: [2-A-6-MepyH]2.CuBr4
• Chemical name: bis(2-amino-6-methylpyridinium) tetrabromidocuprate(II)
• Formula: C12 H18 Br4 Cu N4
• Calculated formula: C12 H18 Br4 Cu N4
• SMILES: Br[Cu](Br)([Br-])[Br-].[nH+]1c(N)cccc1C.[nH+]1c(N)cccc1C
• Title of publication: Bis(2-amino-6-methylpyridinium) tetrabromidocuprate(II)
• Authors of publication: Al-Far, Rawhi H.; Ali, Basem Fares; Haddad, Salim F.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 5
• Pages of publication: m689 - m690
• a: 7.9238 ± 0.0009 Å
• b: 8.2521 ± 0.0011 Å
• c: 15.2916 ± 0.0018 Å
• α: 78.472 ± 0.011°
• β: 82.839 ± 0.01°
• γ: 89.947 ± 0.014°
• Cell volume: 971.8 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1289
• Residual factor for significantly intense reflections: 0.0584
• Weighted residual factors for significantly intense reflections: 0.1238
• Weighted residual factors for all reflections included in the refinement: 0.1526
• Goodness-of-fit parameter for all reflections included in the refinement: 0.996
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes