Information card for entry 2204903

Structure parameters

• Common name: Tetra-n-butylammonium tetrachloro-iron
• Chemical name: Tetrabutylammonium tetrachloroferrate(III)
• Formula: C16 H36 Cl4 Fe N
• Calculated formula: C16 H36 Cl4 Fe N
• SMILES: [N+](CCCC)(CCCC)(CCCC)CCCC.[Fe](Cl)(Cl)(Cl)[Cl-]
• Title of publication: Tetrabutylammonium tetrachloroferrate(III)
• Authors of publication: Hay, Michael T.; Geib, Steven J.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 1
• Pages of publication: m190 - m191
• a: 18.4522 ± 0.0009 Å
• b: 11.5264 ± 0.0006 Å
• c: 11.4079 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2426.3 ± 0.2 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• Space group number: 52
• Hermann-Mauguin space group symbol: P n n a
• Hall space group symbol: -P 2a 2bc
• Residual factor for all reflections: 0.0804
• Residual factor for significantly intense reflections: 0.0526
• Weighted residual factors for significantly intense reflections: 0.1623
• Weighted residual factors for all reflections included in the refinement: 0.1731
• Goodness-of-fit parameter for all reflections included in the refinement: 1.331
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes