Crystallography Open Database

Information card for entry 7240505

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Coordinates	7240505.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C5 H5 I2 N
Calculated formula	C5 H5 I2 N
Title of publication	Halogenide anions as halogen and hydrogen bond acceptors in iodopyridinium halogenides
Authors of publication	Fotović, Luka; Stilinovic, Vladimir
Journal of publication	CrystEngComm
Year of publication	2020
a	4.6289 ± 0.0002 Å
b	15.1319 ± 0.0008 Å
c	11.0844 ± 0.0009 Å
α	90°
β	91.478 ± 0.007°
γ	90°
Cell volume	776.14 ± 0.08 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
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	0.0347
Residual factor for significantly intense reflections	0.031
Weighted residual factors for significantly intense reflections	0.0782
Weighted residual factors for all reflections included in the refinement	0.0803
Goodness-of-fit parameter for all reflections included in the refinement	0.924
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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