Crystallography Open Database

Information card for entry 7057354

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Coordinates	7057354.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H14 F4 I2 N2
Calculated formula	C24 H14 F4 I2 N2
Title of publication	Comparison of isomericmeta- andpara-diiodotetrafluorobenzene as halogen bond donors in crystal engineering
Authors of publication	Bedeković, Nikola; Stilinović, Vladimir; Friščić, Tomislav; Cinčić, Dominik
Journal of publication	New Journal of Chemistry
Year of publication	2018
Journal volume	42
Journal issue	13
Pages of publication	10584
a	7.259 ± 0.005 Å
b	27.697 ± 0.005 Å
c	11.275 ± 0.005 Å
α	90°
β	90.783 ± 0.005°
γ	90°
Cell volume	2266.7 ± 1.9 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	295 ± 2 K
Number of distinct elements	5
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	0.1457
Residual factor for significantly intense reflections	0.0351
Weighted residual factors for significantly intense reflections	0.05
Weighted residual factors for all reflections included in the refinement	0.0605
Goodness-of-fit parameter for all reflections included in the refinement	0.669
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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