Information card for entry 2208805

Structure parameters

• Chemical name: Tetrabutylammonium bromotrichloroferrate(III)
• Formula: C16 H36 Br Cl3 Fe N
• Calculated formula: C16 H36 Br Cl3 Fe N
• Title of publication: Tetrabutylammonium bromotrichloroferrate(III)
• Authors of publication: Kruszynski, Rafal; Wyrzykowski, Dariusz
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 5
• Pages of publication: m994 - m996
• a: 18.5191 ± 0.0011 Å
• b: 11.5864 ± 0.0007 Å
• c: 11.4957 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2466.6 ± 0.3 ų
• Cell temperature: 291.2 ± 0.3 K
• Ambient diffraction temperature: 291.2 ± 0.3 K
• Number of distinct elements: 6
• 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: 0.0806
• Residual factor for significantly intense reflections: 0.0631
• Weighted residual factors for significantly intense reflections: 0.1528
• Weighted residual factors for all reflections included in the refinement: 0.1644
• Goodness-of-fit parameter for all reflections included in the refinement: 1.272
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes