Crystallography Open Database

Information card for entry 7129695

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Coordinates	7129695.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H4 F6
Calculated formula	C12 H4 F6
Title of publication	Pd/Cu bimetallic catalysis to access highly fluorinated biaryls from aryl halides and fluorinated arenes
Authors of publication	Ponce-de-León, Jaime; Marcos-Ayuso, Guillermo; Casares, Juan A.; Espinet, Pablo
Journal of publication	Chemical Communications
Year of publication	2022
a	13.3244 ± 0.0014 Å
b	5.9453 ± 0.0005 Å
c	13.0908 ± 0.0015 Å
α	90°
β	108.653 ± 0.013°
γ	90°
Cell volume	982.55 ± 0.19 Å³
Cell temperature	294 K
Ambient diffraction temperature	294 K
Number of distinct elements	3
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.106
Residual factor for significantly intense reflections	0.0581
Weighted residual factors for significantly intense reflections	0.1328
Weighted residual factors for all reflections included in the refinement	0.1862
Goodness-of-fit parameter for all reflections included in the refinement	0.963
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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