Crystallography Open Database

Information card for entry 2243578

Preview

Coordinates	2243578.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	Triethylammonium hexabromidouranate(IV) dichloromethane monosolvate
Formula	C13 H34 Br6 Cl2 N2 U
Calculated formula	C13 H34 Br6 Cl2 N2 U
SMILES	[U](Br)(Br)(Br)(Br)([Br-])[Br-].ClCCl.[NH+](CC)(CC)CC.[NH+](CC)(CC)CC
Title of publication	Synthesis and crystal structure of triethylammonium hexabromidouranate(IV) dichloromethane monosolvate
Authors of publication	Deubner, Holger Lars; Koester, Marcel; von Haenisch, Carsten; Kraus, Florian
Journal of publication	Acta Crystallographica Section E
Year of publication	2020
Journal volume	76
Journal issue	10
Pages of publication	1587 - 1590
a	10.7318 ± 0.0004 Å
b	17.4541 ± 0.0004 Å
c	15.0082 ± 0.0004 Å
α	90°
β	92.055 ± 0.001°
γ	90°
Cell volume	2809.44 ± 0.14 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0302
Residual factor for significantly intense reflections	0.0246
Weighted residual factors for significantly intense reflections	0.0573
Weighted residual factors for all reflections included in the refinement	0.0594
Goodness-of-fit parameter for all reflections included in the refinement	1.044
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
255924 (current)	2020-09-05	cif/ Adding structures of 2243578 via cif-deposit CGI script.	2243578.cif