Crystallography Open Database

Information card for entry 4517156

Preview

Coordinates	4517156.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H30 N3 Nd O12
Calculated formula	C18 H30 N3 Nd O12
SMILES	C1(=O)C[O]2CC(N(C)C)=[O][Nd]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	9.5238 ± 0.0004 Å
b	12.2283 ± 0.0006 Å
c	13.4495 ± 0.0006 Å
α	79.596 ± 0.004°
β	80.582 ± 0.004°
γ	88.007 ± 0.004°
Cell volume	1519.79 ± 0.12 Å³
Cell temperature	100 ± 0.1 K
Ambient diffraction temperature	100 ± 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	0.0389
Residual factor for significantly intense reflections	0.0321
Weighted residual factors for significantly intense reflections	0.0561
Weighted residual factors for all reflections included in the refinement	0.0586
Goodness-of-fit parameter for all reflections included in the refinement	0.993
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
244788 (current)	2019-11-29	cif/ Adding structures of 4517156 via cif-deposit CGI script.	4517156.cif