Information card for entry 4116488

Structure parameters

• Chemical name: Hexakis(carbonyl)iron(II) hexafluoroantimonate(V),
• Formula: C6 F12 Fe O6 Sb2
• Calculated formula: C6 F12 Fe O6 Sb2
• SMILES: C(#[O])[Fe](C#[O])(C#[O])(C#[O])(C#[O])C#[O].F[Sb](F)(F)(F)([F-])F.[F-][Sb](F)(F)(F)(F)F
• Title of publication: Hexakis(carbonyl)iron(II) Undecafluorodiantimonate(V), [Fe(CO)6][Sb2F11]2, and -Hexafluoroantimonate(V), [Fe(CO)6][SbF6]2, Their Syntheses, and Spectroscopic and Structural Characterization by Single Crystal X-ray Diffraction and Normal Coordinate Analysis
• Authors of publication: Eduard Bernhardt; Bianca Bley; Rudolf Wartchow; Helge Willner; Eckhard Bill; Peter Kuhn; Iona H. T. Sham; Matthias Bodenbinder; Raimund Bröchler; Friedhelm Aubke
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 1999
• Journal volume: 121
• Pages of publication: 7188 - 7200
• a: 8.258 ± 0.001 Å
• b: 8.258 ± 0.001 Å
• c: 12.471 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 850.5 ± 0.2 ų
• Cell temperature: 300 ± 2 K
• Ambient diffraction temperature: 300 ± 2 K
• Number of distinct elements: 5
• Space group number: 128
• Hermann-Mauguin space group symbol: P 4/m n c
• Hall space group symbol: -P 4 2n
• Residual factor for all reflections: 0.0377
• Residual factor for significantly intense reflections: 0.0259
• Weighted residual factors for all reflections: 0.0668
• Weighted residual factors for all reflections included in the refinement: 0.0626
• Goodness-of-fit parameter for all reflections: 1.026
• Goodness-of-fit parameter for all reflections included in the refinement: 1.13
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No