Information card for entry 4110386

Structure parameters

• Common name: Na2[Fe(II)(CN)4(dmso)2 2H2O
• Chemical name: disodium iron(II)tetracyanobisdimethylsulfoxide bis water
• Formula: C8 H16 Fe N4 Na2 O4 S2
• Calculated formula: C8 H16 Fe N4 Na2 O4 S2
• SMILES: C(#N)[Fe](C#N)([S](C)(C)=O)(C#N)(C#N)[S](C)(C)=O.[Na+].[Na+].O.O
• 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: 6.8796 ± 0.0005 Å
• b: 8.4908 ± 0.0006 Å
• c: 13.4947 ± 0.001 Å
• α: 90°
• β: 96.937 ± 0.001°
• γ: 90°
• Cell volume: 782.5 ± 0.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• 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: 0.0265
• Residual factor for significantly intense reflections: 0.0243
• Weighted residual factors for significantly intense reflections: 0.0651
• Weighted residual factors for all reflections included in the refinement: 0.0664
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No