Crystallography Open Database

Information card for entry 4116488

Preview

Coordinates	4116488.cif
Original paper (by DOI)	HTML

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 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 F_obs	No

Version history

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