Information card for entry 2017239

Structure parameters

• Common name: [3,5-DBr-2,6-DAPyH]2.MnBr4
• Chemical name: bis(2,6-diamino-3,5-dibromopyridinium) tetrabromidomanganate(II)
• Formula: C10 H12 Br8 Mn N6
• Calculated formula: C10 H12 Br8 Mn N6
• SMILES: [Br-][Mn](Br)(Br)[Br-].c1([nH+]c(N)c(cc1Br)Br)N.[nH+]1c(N)c(Br)cc(Br)c1N
• Title of publication: Three-dimensional framework structures: isomorphous bis(2,6-diamino-3,5-dibromopyridinium) tetrabromidometallate(II) salts with Cd^II^ and Mn^II^
• 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: 8
• Pages of publication: m321 - m324
• a: 8.8776 ± 0.0019 Å
• b: 10.705 ± 0.002 Å
• c: 13.962 ± 0.003 Å
• α: 72.757 ± 0.004°
• β: 86.692 ± 0.004°
• γ: 66.159 ± 0.004°
• Cell volume: 1156.2 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0533
• Residual factor for significantly intense reflections: 0.0357
• Weighted residual factors for significantly intense reflections: 0.0823
• Weighted residual factors for all reflections included in the refinement: 0.0891
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes