Crystallography Open Database

Information card for entry 4501487

Preview

Coordinates	4501487.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H34 N4 O10 Pu
Calculated formula	C20 H34 N4 O10 Pu
SMILES	C1(CCCN1C1CCCCC1)=[O][Pu]12(ON(=[O]1)=O)(=O)(=O)([O]=C1CCCN1C1CCCCC1)ON(=[O]2)=O
Title of publication	Molecular and Crystal Structures of Plutonyl(VI) Nitrate Complexes withN-Alkylated 2-Pyrrolidone Derivatives: Cocrystallization Potentiality of UVIand PuVI
Authors of publication	Kim, Seong-Yun; Takao, Koichiro; Haga, Yoshinori; Yamamoto, Etsuji; Kawata, Yoshihisa; Morita, Yasuji; Nishimura, Kenji; Ikeda, Yasuhisa
Journal of publication	Crystal Growth & Design
Year of publication	2010
Journal volume	10
Journal issue	5
Pages of publication	2033
a	7.0236 ± 0.0005 Å
b	18.4311 ± 0.0012 Å
c	10.5097 ± 0.0007 Å
α	90°
β	102.255 ± 0.002°
γ	90°
Cell volume	1329.51 ± 0.16 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0635
Residual factor for significantly intense reflections	0.0443
Weighted residual factors for significantly intense reflections	0.0791
Weighted residual factors for all reflections included in the refinement	0.0852
Goodness-of-fit parameter for all reflections included in the refinement	1.201
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
179545 (current)	2016-03-24	cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/14.	4501487.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4501487.cif
35948	2012-03-01	../uploads/cif-deposit/cod/cif Adding structures of 4501487, 4501488 via cif-deposit CGI script.	4501487.cif