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Information card for entry 4116488
Preview
Coordinates | 4116488.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | Hexakis(carbonyl)iron(II) hexafluoroantimonate(V), |
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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 Å3 |
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 |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4116488.html
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