Crystallography Open Database

Information card for entry 7247290

Preview

Coordinates	7247290.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C4 H12 Cl4 I N
Calculated formula	C4 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	16.4343 ± 0.0005 Å
b	16.4343 ± 0.0005 Å
c	11.4451 ± 0.0004 Å
α	90°
β	90°
γ	120°
Cell volume	2677.03 ± 0.15 Å³
Cell temperature	140 ± 0.1 K
Ambient diffraction temperature	140 ± 0.1 K
Number of distinct elements	5
Space group number	145
Hermann-Mauguin space group symbol	P 32
Hall space group symbol	P 32
Residual factor for all reflections	0.0399
Residual factor for significantly intense reflections	0.0353
Weighted residual factors for significantly intense reflections	0.0614
Weighted residual factors for all reflections included in the refinement	0.0643
Goodness-of-fit parameter for all reflections included in the refinement	1.027
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
286724 (current)	2023-10-06	cif/ Updating files of 7247286, 7247287, 7247288, 7247289, 7247290, 7247291, 7247292, 7247293, 7247294 Original log message: Adding full bibliography for 7247286--7247294.cif.	7247290.cif
285940	2023-09-01	cif/ Adding structures of 7247286, 7247287, 7247288, 7247289, 7247290, 7247291, 7247292, 7247293, 7247294 via cif-deposit CGI script.	7247290.cif