Crystallography Open Database

Information card for entry 8105886

Preview

Coordinates	8105886.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	2-iodoanilinium triiodide
Chemical name	2-iodobenzenaminium triiodide
Formula	C6 H7 I4 N
Calculated formula	C6 H7 I4 N
Title of publication	Halogen and hydrogen bonding in the layered crystal structure of 2-iodoanilinium triiodide, C6H7I4N
Authors of publication	Reiss, Guido J.
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2019
Journal volume	234
Journal issue	5
Pages of publication	899 - 902
a	9.2818 ± 0.0002 Å
b	6.55289 ± 0.00016 Å
c	11.0561 ± 0.0003 Å
α	90°
β	114.051 ± 0.003°
γ	90°
Cell volume	614.08 ± 0.03 Å³
Cell temperature	109 K
Ambient diffraction temperature	109 K
Number of distinct elements	4
Space group number	11
Hermann-Mauguin space group symbol	P 1 21/m 1
Hall space group symbol	-P 2yb
Residual factor for all reflections	0.0234
Residual factor for significantly intense reflections	0.018
Weighted residual factors for significantly intense reflections	0.0351
Weighted residual factors for all reflections included in the refinement	0.0367
Goodness-of-fit parameter for all reflections included in the refinement	0.986
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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