Information card for entry 4302111

Structure parameters

• Common name: Potassium ferrocyanide trihydrate
• Chemical name: Potassium hexacyanoferrate(II) Trihydrate
• Formula: C6 H6 Fe K4 N6 O3
• Calculated formula: C6 H6 Fe K4 N6 O3
• SMILES: [Fe](C#N)(C#N)(C#N)(C#N)(C#N)C#N.[K+].[K+].[K+].[K+].O.O.O
• Title of publication: Polymorphism of Potassium Ferrocyanide Trihydrate as Studied by Solid-State Multinuclear NMR Spectroscopy and X-ray Diffraction
• Authors of publication: Mathew J. Willans; Roderick E. Wasylishen; Robert McDonald
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 4342 - 4353
• a: 9.3528 ± 0.0013 Å
• b: 16.755 ± 0.002 Å
• c: 9.3591 ± 0.0013 Å
• α: 90°
• β: 90.076 ± 0.002°
• γ: 90°
• Cell volume: 1466.6 ± 0.3 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 6
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0295
• Residual factor for significantly intense reflections: 0.0275
• Weighted residual factors for significantly intense reflections: 0.0709
• Weighted residual factors for all reflections included in the refinement: 0.0722
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No