Information card for entry 2241484

Structure parameters

• Chemical name: Bis(quinolin-1-ium) tetrachloridoferrate(III) chloride
• Formula: C18 H16 Cl5 Fe N2
• Calculated formula: C18 H16 Cl5 Fe N2
• SMILES: [Fe](Cl)(Cl)(Cl)[Cl-].[Cl-].[nH+]1c2c(ccc1)cccc2.[nH+]1c2ccccc2ccc1
• Title of publication: Crystal structure of bis(quinolin-1-ium) tetrachloridoferrate(III) chloride
• Authors of publication: Boudjarda, Azzedine; Bouchouit, Karim; Arroudj, Samiha; Bouacida, Sofiane; Merazig, Hocine
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 12
• Pages of publication: m273 - m274
• a: 8.424 ± 0.002 Å
• b: 10.435 ± 0.003 Å
• c: 13.022 ± 0.004 Å
• α: 109.626 ± 0.018°
• β: 100.197 ± 0.019°
• γ: 90.893 ± 0.019°
• Cell volume: 1057.7 ± 0.5 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.0491
• Residual factor for significantly intense reflections: 0.0328
• Weighted residual factors for significantly intense reflections: 0.0682
• Weighted residual factors for all reflections included in the refinement: 0.0743
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes