Information card for entry 2242026

Structure parameters

• Chemical name: Bis(1-ethylpyridinium) dioxonium hexacyanidoferrate(II)
• Formula: C20 H26 Fe N8 O2
• Calculated formula: C20 H26 Fe N8 O2
• SMILES: C(#N)[Fe](C#N)(C#N)(C#N)(C#N)C#N.c1cc[n+](cc1)CC.[OH3+].c1cc[n+](cc1)CC.[OH3+]
• Title of publication: Crystal structure of bis(1-ethylpyridinium) dioxonium hexacyanidoferrate(II)
• Authors of publication: Tanaka, Rikako; Matsushita, Nobuyuki
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2017
• Journal volume: 73
• Journal issue: 2
• Pages of publication: 219 - 222
• a: 11.8807 ± 0.0004 Å
• b: 12.1279 ± 0.0007 Å
• c: 8.3962 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1209.79 ± 0.09 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 58
• Hermann-Mauguin space group symbol: P n n m
• Hall space group symbol: -P 2 2n
• Residual factor for all reflections: 0.0455
• Residual factor for significantly intense reflections: 0.036
• Weighted residual factors for significantly intense reflections: 0.0852
• Weighted residual factors for all reflections included in the refinement: 0.0927
• Goodness-of-fit parameter for all reflections included in the refinement: 1.108
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes