Information card for entry 2213834

Structure parameters

• Common name: [DMepyrazineH2].FeBr4
• Chemical name: Dimethylpyrazinium tetrabromidoferrate(II)
• Formula: C6 H10 Br4 Fe N2
• Calculated formula: C6 H10 Br4 Fe N2
• SMILES: Cc1c[nH+]c(C)c[nH+]1.[Br-][Fe](Br)(Br)[Br-]
• Title of publication: Dimethylpyrazinium tetrabromidoferrate(II): Br···aryl···Br and Br···Br intermolecular interactions
• Authors of publication: Al-Far, Rawhi; Ali, Basem Fares
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 6
• Pages of publication: m1701 - m1701
• a: 6.6591 ± 0.0013 Å
• b: 14.352 ± 0.003 Å
• c: 6.8583 ± 0.0014 Å
• α: 90°
• β: 90.92 ± 0.03°
• γ: 90°
• Cell volume: 655.4 ± 0.2 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 5
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for all reflections: 0.0669
• Residual factor for significantly intense reflections: 0.0435
• Weighted residual factors for significantly intense reflections: 0.1002
• Weighted residual factors for all reflections included in the refinement: 0.1127
• Goodness-of-fit parameter for all reflections included in the refinement: 0.967
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes