Information card for entry 2215009

Structure parameters

• Chemical name: Bis(8-methylquinolinium) tetrachloridoferrate(III) chloride
• Formula: C20 H20 Cl5 Fe N2
• Calculated formula: C20 H20 Cl5 Fe N2
• SMILES: [Fe](Cl)(Cl)(Cl)[Cl-].[nH+]1cccc2c1c(ccc2)C.[nH+]1cccc2c1c(ccc2)C.[Cl-]
• Title of publication: Bis(8-methylquinolinium) tetrachloridoferrate(III) chloride
• Authors of publication: Kruszynski, Rafal; Wyrzykowski, Dariusz; Styczeń, Emilia; Chmurzyński, Lech
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 9
• Pages of publication: m2279 - m2280
• a: 7.9065 ± 0.0003 Å
• b: 10.1445 ± 0.0003 Å
• c: 14.8518 ± 0.0006 Å
• α: 84.097 ± 0.003°
• β: 78.2 ± 0.003°
• γ: 84.869 ± 0.002°
• Cell volume: 1157 ± 0.07 ų
• Cell temperature: 291 ± 0.3 K
• Ambient diffraction temperature: 291 ± 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: 0.0384
• Residual factor for significantly intense reflections: 0.0291
• Weighted residual factors for significantly intense reflections: 0.081
• Weighted residual factors for all reflections included in the refinement: 0.0863
• Goodness-of-fit parameter for all reflections included in the refinement: 1.094
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes