Information card for entry 4317469

Structure parameters

• Chemical name: Potassium Irontricyanidetricarbonyl
• Formula: C6 Fe K N3 O3
• Calculated formula: C6 Fe K N3 O3
• SMILES: C(#N)[Fe](C#N)(C#N)(C#[O])(C#[O])C#[O].[K+]
• Title of publication: fac-[FeII(CN)3(CO)3]- and cis-[FeII(CN)4(CO)2]2-: New Members of the Class of [FeII(CN)x(CO)y] Compounds
• Authors of publication: Jianfeng Jiang; Stephen A. Koch
• Journal of publication: Inorganic Chemistry
• Year of publication: 2002
• Journal volume: 41
• Pages of publication: 158 - 160
• a: 6.9564 ± 0.0013 Å
• b: 6.9564 ± 0.0013 Å
• c: 37.063 ± 0.01 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 1553.2 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0367
• Residual factor for significantly intense reflections: 0.0328
• Weighted residual factors for significantly intense reflections: 0.0821
• Weighted residual factors for all reflections included in the refinement: 0.0841
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No