Crystallography Open Database

Information card for entry 4512379

Preview

Coordinates	4512379.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H30 Cl4 N4 O2 U
Calculated formula	C16 H30 Cl4 N4 O2 U
SMILES	c1n(cc[n+]1C)CCCC.[U](=O)(=O)(Cl)(Cl)(Cl)Cl.c1n(cc[n+]1C)CCCC
Title of publication	Crystallization in Ionic Liquids: Synthesis, Properties, and Polymorphs of Uranyl Salts
Authors of publication	Qu, Feng; Zhu, Qian-Qian; Liu, Chun-Li
Journal of publication	Crystal Growth & Design
Year of publication	2014
Journal volume	14
Journal issue	12
Pages of publication	6421
a	8.5341 ± 0.0005 Å
b	17.5319 ± 0.001 Å
c	8.8715 ± 0.0006 Å
α	90°
β	106.449 ± 0.007°
γ	90°
Cell volume	1273.02 ± 0.14 Å³
Cell temperature	290 ± 2 K
Ambient diffraction temperature	290 ± 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	0.0462
Residual factor for significantly intense reflections	0.028
Weighted residual factors for significantly intense reflections	0.0598
Weighted residual factors for all reflections included in the refinement	0.0663
Goodness-of-fit parameter for all reflections included in the refinement	1.033
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179670 (current)	2016-03-24	cif/4/51/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/51/23.	4512379.cif
131334	2015-02-07	cif/ Updating files of 4512377, 4512378, 4512379, 4512380, 4512381, 4512382, 4512383, 4512384, 4512385, 4512386 Original log message: Adding full bibliography for 4512377--4512386.cif.	4512379.cif
127612	2014-11-21	cif/ Adding structures of 4512377, 4512378, 4512379, 4512380, 4512381, 4512382, 4512383, 4512384, 4512385, 4512386 via cif-deposit CGI script.	4512379.cif