Information card for entry 2213702

Structure parameters

• Chemical name: Bis(8-methylquinolinium) tetrabromidoferrate(III) bromide
• Formula: C20 H20 Br5 Fe N2
• Calculated formula: C20 H20 Br5 Fe N2
• SMILES: [Fe](Br)(Br)(Br)[Br-].[nH+]1cccc2c1c(ccc2)C.[nH+]1cccc2c1c(ccc2)C.[Br-]
• Title of publication: Bis(8-methylquinolinium) tetrabromidoferrate(III) bromide
• Authors of publication: Kruszynski, Rafal; Wyrzykowski, Dariusz; Chmurzyński, Lech
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 6
• Pages of publication: m1727 - m1728
• a: 7.9533 ± 0.0005 Å
• b: 10.3853 ± 0.0004 Å
• c: 15.2432 ± 0.0008 Å
• α: 84.781 ± 0.004°
• β: 79.645 ± 0.005°
• γ: 85.556 ± 0.004°
• Cell volume: 1231 ± 0.11 ų
• Cell temperature: 291.2 ± 0.3 K
• Ambient diffraction temperature: 291.2 ± 0.3 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: 0.0413
• Residual factor for significantly intense reflections: 0.0234
• Weighted residual factors for significantly intense reflections: 0.0522
• Weighted residual factors for all reflections included in the refinement: 0.0574
• Goodness-of-fit parameter for all reflections included in the refinement: 0.983
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes