Crystallography Open Database

Information card for entry 4304898

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Structure parameters

Formula	C16 H32 N4 O11 U
Calculated formula	C16 H32 N4 O11 U
SMILES	[U]123([O]=C(N(C(C)C)C(C)C)CO1CC(N(C(C)C)C(C)C)=[O]2)(ON(=[O]3)=O)(ON(=O)=O)(=O)=O
Title of publication	Lanthanum(III) and Uranyl(VI) Diglycolamide Complexes: Synthetic Precursors and Structural Studies Involving Nitrate Complexation
Authors of publication	Shanmugaperumal Kannan; Morgan A. Moody; Charles L. Barnes; Paul B. Duval
Journal of publication	Inorganic Chemistry
Year of publication	2008
Journal volume	47
Pages of publication	4691 - 4695
a	11.8894 ± 0.0005 Å
b	16.0816 ± 0.0006 Å
c	25.2065 ± 0.001 Å
α	90°
β	90°
γ	90°
Cell volume	4819.5 ± 0.3 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.053
Residual factor for significantly intense reflections	0.0309
Weighted residual factors for significantly intense reflections	0.0529
Weighted residual factors for all reflections included in the refinement	0.0576
Goodness-of-fit parameter for all reflections included in the refinement	1.047
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
301836 (current)	2025-08-20	Add cross-references to PubChem compounds in COD range 4/30/ Each referenced PubChem compound corresponds to the full crystal structure.	4304898.cif
179086	2016-03-22	cif/4/30/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/30/48.	4304898.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4304898.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4304898.cif
1163	2010-05-11	cif/4/: committing data from the Inorg-Chem-2008_01-12/ deposition.	4304898.cif