Crystallography Open Database

Information card for entry 4116806

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Coordinates	4116806.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C8 H16 F4 I2 N2
Calculated formula	C8 H16 F4 I2 N2
Title of publication	Perfluorocarbon-Hydrocarbon Self-Assembling. 1D Infinite Chain Formation Driven by Nitrogen...Iodine Interactions
Authors of publication	Vincenzo Amico; Stefano Valdo Meille; Eleonora Corradi; Maria Teresa Messina; Giuseppe Resnati
Journal of publication	Journal of the American Chemical Society
Year of publication	1998
Journal volume	120
Pages of publication	8261 - 8262
a	6.38 ± 0.001 Å
b	6.808 ± 0.0011 Å
c	9.242 ± 0.0014 Å
α	109.2 ± 0.027°
β	96.86 ± 0.009°
γ	94.95 ± 0.004°
Cell volume	372.99 ± 0.12 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.0954
Residual factor for significantly intense reflections	0.0653
Weighted residual factors for significantly intense reflections	0.1764
Weighted residual factors for all reflections included in the refinement	0.205
Goodness-of-fit parameter for all reflections included in the refinement	1.375
Diffraction radiation wavelength	1.5418 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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