Crystallography Open Database

Information card for entry 7247289

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Coordinates	7247289.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C8 H12 Cl4 I N
Calculated formula	C8 H12 Cl4 I N
Title of publication	Halogen bonding in chloroiodates(iii)
Authors of publication	Korobeynikov, Nikita A.; Usoltsev, Andrey N.; Sokolov, Maxim N.; Novikov, Alexander S.; Sukhikh, Taisiya S.; Adonin, Sergey A.
Journal of publication	CrystEngComm
Year of publication	2023
Journal volume	25
Journal issue	37
Pages of publication	5233 - 5237
a	17.4476 ± 0.0006 Å
b	9.9715 ± 0.0004 Å
c	7.8504 ± 0.0003 Å
α	90°
β	102.6 ± 0.001°
γ	90°
Cell volume	1332.91 ± 0.09 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.022
Residual factor for significantly intense reflections	0.0166
Weighted residual factors for significantly intense reflections	0.0351
Weighted residual factors for all reflections included in the refinement	0.0365
Goodness-of-fit parameter for all reflections included in the refinement	1.058
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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