Crystallography Open Database

Information card for entry 7057358

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Coordinates	7057358.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H14 F4 I2 N2
Calculated formula	C18 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	6.2409 ± 0.0003 Å
b	8.4295 ± 0.0005 Å
c	9.1751 ± 0.0005 Å
α	80.934 ± 0.005°
β	84.467 ± 0.004°
γ	78.592 ± 0.005°
Cell volume	466.17 ± 0.04 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0369
Residual factor for significantly intense reflections	0.0333
Weighted residual factors for significantly intense reflections	0.0842
Weighted residual factors for all reflections included in the refinement	0.0854
Goodness-of-fit parameter for all reflections included in the refinement	1.094
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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