Information card for entry 4110384

Structure parameters

• Common name: [Et4N]3[Fe(II)(CN)5py] 6H2O
• Chemical name: tris-tetraethylammonium Iron(II)pentacyanidepyridine
• Formula: C34 H77 Fe N9 O6
• Calculated formula: C34 H56 Fe N9 O6
• Title of publication: Further Study of the Reaction of Fe2+ with CN-: Synthesis and Characterization of cis and trans[FeII,III(CN)4L2]n- Complexes
• Authors of publication: Gina M. Chiarella; Doris Y. Melgarejo; Stephen A. Koch
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2006
• Journal volume: 128
• Pages of publication: 1416 - 1417
• a: 20.502 ± 0.004 Å
• b: 17.404 ± 0.004 Å
• c: 12.656 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4515.9 ± 1.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.1276
• Residual factor for significantly intense reflections: 0.0696
• Weighted residual factors for significantly intense reflections: 0.2
• Weighted residual factors for all reflections included in the refinement: 0.2379
• Goodness-of-fit parameter for all reflections included in the refinement: 0.938
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No