Crystallography Open Database

Information card for entry 7242832

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Coordinates	7242832.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H16 F3 I3 N2
Calculated formula	C24 H16 F3 I3 N2
Title of publication	Halogen-bonded one-dimensional chains of functionalized ditopic bipyridines co-crystallized with mono-, di-, and triiodofluorobenzenes
Authors of publication	Vulpe, Elena; Grosjean, Sylvain; Hassan, Zahid; Bulach, Véronique; Hosseini, Mir Wais; Bräse, Stefan
Journal of publication	CrystEngComm
Year of publication	2021
Journal volume	23
Journal issue	24
Pages of publication	4247 - 4251
a	5.511 ± 0.0003 Å
b	18.5899 ± 0.0011 Å
c	23.7423 ± 0.0013 Å
α	90°
β	90°
γ	90°
Cell volume	2432.4 ± 0.2 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	60
Hermann-Mauguin space group symbol	P b c n
Hall space group symbol	-P 2n 2ab
Residual factor for all reflections	0.0485
Residual factor for significantly intense reflections	0.0317
Weighted residual factors for significantly intense reflections	0.0626
Weighted residual factors for all reflections included in the refinement	0.0706
Goodness-of-fit parameter for all reflections included in the refinement	1.01
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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