Crystallography Open Database

Information card for entry 4088027

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Coordinates	4088027.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C10 H9 F Fe
Calculated formula	C10 H9 F Fe
Title of publication	The Unusual Redox Properties of Fluoroferrocenes Revealed through a Comprehensive Study of the Haloferrocenes
Authors of publication	Inkpen, Michael S.; Du, Shuoren; Hildebrand, Mariana; White, Andrew J. P.; Harrison, Nicholas M.; Albrecht, Tim; Long, Nicholas J.
Journal of publication	Organometallics
Year of publication	2015
Journal volume	34
Journal issue	22
Pages of publication	5461
a	6.0054 ± 0.0004 Å
b	7.5812 ± 0.0005 Å
c	9.0629 ± 0.0006 Å
α	90°
β	96.034 ± 0.006°
γ	90°
Cell volume	410.33 ± 0.05 Å³
Cell temperature	173 K
Ambient diffraction temperature	173 K
Number of distinct elements	4
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	0.0485
Residual factor for significantly intense reflections	0.0383
Weighted residual factors for significantly intense reflections	0.0942
Weighted residual factors for all reflections included in the refinement	0.1024
Goodness-of-fit parameter for all reflections included in the refinement	1.085
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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