Crystallography Open Database

Information card for entry 7708626

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Coordinates	7708626.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H9 F Fe O2 S
Calculated formula	C12 H9 F Fe O2 S
Title of publication	The chemistry of ferrocenesulfonyl fluoride revealed
Authors of publication	Erb, William; Roisnel, Thierry
Journal of publication	Dalton Transactions
Year of publication	2021
a	6.9415 ± 0.0012 Å
b	9.1569 ± 0.0018 Å
c	9.4381 ± 0.0018 Å
α	81.337 ± 0.006°
β	74.314 ± 0.006°
γ	84.801 ± 0.006°
Cell volume	570.19 ± 0.19 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0295
Residual factor for significantly intense reflections	0.0264
Weighted residual factors for significantly intense reflections	0.0682
Weighted residual factors for all reflections included in the refinement	0.0701
Goodness-of-fit parameter for all reflections included in the refinement	1.034
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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