Crystallography Open Database

Information card for entry 7251330

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Coordinates	7251330.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	p-Tetrafluorodiidobenzene
Formula	C12 H6 F4 I2
Calculated formula	C12 H6 F4 I2
Title of publication	Exploring non-covalent interactions in binary aromatic complexes
Authors of publication	Bear, Joseph C.; Cockcroft, Jeremy Karl; Rosu-Finsen, Alexander; Williams, Jeffrey Huw
Journal of publication	CrystEngComm
Year of publication	2025
a	8.6866 ± 0.0002 Å
b	7.1907 ± 0.0002 Å
c	10.5364 ± 0.0003 Å
α	90°
β	90.058 ± 0.003°
γ	90°
Cell volume	658.13 ± 0.03 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	4
Space group number	12
Hermann-Mauguin space group symbol	C 1 2/m 1
Hall space group symbol	-C 2y
Residual factor for all reflections	0.0325
Residual factor for significantly intense reflections	0.0299
Weighted residual factors for significantly intense reflections	0.073
Weighted residual factors for all reflections included in the refinement	0.0742
Goodness-of-fit parameter for all reflections included in the refinement	1.07
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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