Information card for entry 2226526

Structure parameters

• Common name: 4-Fluoroanilinium tetrachloridoferrate(III) 18-crown-6 clathrate
• Chemical name: 4-Fluoroanilinium tetrachloridoferrate(III)‒1,4,7,10,13,16-hexaoxacyclooctadecane (1/1)
• Formula: C18 H31 Cl4 F Fe N O6
• Calculated formula: C18 H31 Cl4 F Fe N O6
• SMILES: O1CCOCCOCCOCCOCCOCC1.Fc1ccc([NH3+])cc1.[Fe](Cl)(Cl)(Cl)[Cl-]
• Title of publication: 4-Fluoroanilinium tetrachloridoferrate(III) 18-crown-6 clathrate
• Authors of publication: Ge, Jia-Zhen; Zhao, Min-Min
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 7
• Pages of publication: m739
• a: 11.45 ± 0.01 Å
• b: 24.14 ± 0.02 Å
• c: 9.719 ± 0.009 Å
• α: 90°
• β: 96.82 ± 0.02°
• γ: 90°
• Cell volume: 2667 ± 4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1434
• Residual factor for significantly intense reflections: 0.078
• Weighted residual factors for significantly intense reflections: 0.2345
• Weighted residual factors for all reflections included in the refinement: 0.2706
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes