Crystallography Open Database

Information card for entry 4517157

Preview

Coordinates	4517157.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H30 La N3 O12
Calculated formula	C18 H30 La N3 O12
SMILES	C1(=O)C[O]2CC(N(C)C)=[O][La]34562(O1)(OC(=O)C[O]3CC(N(C)C)=[O]4)OC(=O)C[O]5CC(N(C)C)=[O]6
Title of publication	Selective Extraction of Light Lanthanides(III) by N,N-Di(2-ethylhexyl)-diglycolamic Acid: A Comparative Study with N,N-Dimethyl-diglycolamic Acid as a Chelator in Aqueous Solutions
Authors of publication	Ibrahim, Sherif M.; Zhang, Yan; Xue, Yun; Yang, Suliang; Ma, Fuqiu; Gao, Yang; Zhou, Yu; Tian, Guoxin
Journal of publication	ACS Omega
Year of publication	2019
a	9.4804 ± 0.0005 Å
b	12.3468 ± 0.001 Å
c	13.5959 ± 0.001 Å
α	79.729 ± 0.006°
β	80.339 ± 0.005°
γ	87.876 ± 0.005°
Cell volume	1543.68 ± 0.19 Å³
Cell temperature	150.01 ± 0.1 K
Ambient diffraction temperature	150.01 ± 0.1 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0566
Residual factor for significantly intense reflections	0.0446
Weighted residual factors for significantly intense reflections	0.0795
Weighted residual factors for all reflections included in the refinement	0.0858
Goodness-of-fit parameter for all reflections included in the refinement	0.962
Diffraction radiation probe	x-ray
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
244789 (current)	2019-11-29	cif/ Adding structures of 4517157 via cif-deposit CGI script.	4517157.cif