Information card for entry 2234583

Structure parameters

• Chemical name: Butyltriethylammonium tetrachloridoferrate(III)
• Formula: C10 H24 Cl4 Fe N
• Calculated formula: C10 H24 Cl4 Fe N
• SMILES: CC[N+](CC)(CC)CCCC.[Cl-][Fe](Cl)(Cl)Cl
• Title of publication: Butyltriethylammonium tetrachloridoferrate(III)
• Authors of publication: Jin, Lei; Li, Yong-Jun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 5
• Pages of publication: m656
• a: 7.6197 ± 0.0015 Å
• b: 11.671 ± 0.002 Å
• c: 18.473 ± 0.004 Å
• α: 90°
• β: 91.51 ± 0.03°
• γ: 90°
• Cell volume: 1642.2 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.0695
• Residual factor for significantly intense reflections: 0.0475
• Weighted residual factors for significantly intense reflections: 0.1083
• Weighted residual factors for all reflections included in the refinement: 0.1174
• Goodness-of-fit parameter for all reflections included in the refinement: 1.095
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes