Crystallography Open Database

Information card for entry 7108379

Preview

Coordinates	7108379.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H54 N10 O22 Pu
Calculated formula	C24 H48 N10 O21 Pu
SMILES	C1(C[O]2CC(N(C)C)=[O][Pu]34562([O]=C(N(C)C)C[O]6CC(N(C)C)=[O]5)([O]=1)[O]=C(C[O]3CC(N(C)C)=[O]4)N(C)C)N(C)C.N(=O)(=O)[O-].N(=O)(=O)[O-].N(=O)(=O)[O-].N(=O)(=O)[O-]
Title of publication	Plutonium(IV) complexation by diglycolamide ligands‒coordination chemistry insight into TODGA-based actinide separations
Authors of publication	Andrew Gaunt; Andrew J. Gaunt; Sean Reilly; Brian Scott; Giuseppe Modolo; Mark Sarsfield; Willem Verboom; Mudassir Iqbal
Journal of publication	Chem.Commun.
Year of publication	2012
Journal volume	48
Pages of publication	9732
a	21.121 ± 0.005 Å
b	12.83 ± 0.003 Å
c	19.842 ± 0.005 Å
α	90°
β	104.811 ± 0.003°
γ	90°
Cell volume	5198 ± 2 Å³
Cell temperature	140 ± 2 K
Ambient diffraction temperature	140 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0811
Residual factor for significantly intense reflections	0.0698
Weighted residual factors for significantly intense reflections	0.1735
Weighted residual factors for all reflections included in the refinement	0.1773
Goodness-of-fit parameter for all reflections included in the refinement	1.265
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
180187 (current)	2016-03-26	cif/7/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/10/83.	7108379.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7108379.cif
66149	2012-09-07	cif/ Adding structures of 7108378, 7108379 via cif-deposit CGI script.	7108379.cif