Information card for entry 2015934

Structure parameters

• Chemical name: Ammonium bis(tetraethylammonium) hexacyanoferrate(III) trihydrate
• Formula: C22 H50 Fe N9 O3
• Calculated formula: C22 H50 Fe N9 O3
• Title of publication: Ammonium bis(tetraethylammonium) hexacyanidoferrate(III) trihydrate
• Authors of publication: Miroslava Matiková Maľarová; Juraj Černák; Werner Massa
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 5
• Pages of publication: m187 - m189
• a: 10.472 ± 0.001 Å
• b: 10.2339 ± 0.0007 Å
• c: 14.518 ± 0.002 Å
• α: 90°
• β: 99.051 ± 0.009°
• γ: 90°
• Cell volume: 1536.5 ± 0.3 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0661
• Residual factor for significantly intense reflections: 0.0388
• Weighted residual factors for significantly intense reflections: 0.0928
• Weighted residual factors for all reflections included in the refinement: 0.0999
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes