Information card for entry 2017372

Structure parameters

• Chemical name: bis(2,6-dibromopyridinium) tetrabromidocuprate(II) dihydrate
• Formula: C10 H12 Br8 Cu N2 O2
• Calculated formula: C10 H12 Br8 Cu N2 O2
• SMILES: c1(cccc([nH+]1)Br)Br.O.Br[Cu](Br)([Br-])[Br-].c1(cccc([nH+]1)Br)Br.O
• Title of publication: Three isomorphous 2,6-dibromopyridinium tetrabromidometallates: (C~5~H~4~Br~2~N)~2~[<i>M</i>Br~4~]·2H~2~O (<i>M</i> = Cu, Cd and Hg)
• Authors of publication: Al-Far, Rawhi H.; Haddad, Salim F.; Ali, Basem Fares
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 11
• Pages of publication: m451 - m454
• a: 10.2861 ± 0.0007 Å
• b: 13.4443 ± 0.0009 Å
• c: 15.7523 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2178.4 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 56
• Hermann-Mauguin space group symbol: P c c n
• Hall space group symbol: -P 2ab 2ac
• Residual factor for all reflections: 0.0534
• Residual factor for significantly intense reflections: 0.0328
• Weighted residual factors for significantly intense reflections: 0.0765
• Weighted residual factors for all reflections included in the refinement: 0.0875
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes