Crystallography Open Database

Information card for entry 4330281

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Structure parameters

Formula	C32 H72 N8 O18 Pu
Calculated formula	C32 H72 N8 O18 Pu
SMILES	C(CCC)[N+](CCCC)(CCCC)CCCC.N1(=[O][Pu]23456(O1)(ON(=O)=[O]2)(ON(=O)=[O]5)([O]=N(=O)O3)(ON(=O)=[O]4)ON(=O)=[O]6)=O.C(CCC)[N+](CCCC)(CCCC)CCCC
Title of publication	[N(n-Bu)4]2[Pu(NO3)6] and [N(n-Bu)4]2[PuCl6]: Starting Materials To Facilitate Nonaqueous Plutonium(IV) Chemistry
Authors of publication	Sean D. Reilly; Brian L. Scott; Andrew J. Gaunt
Journal of publication	Inorganic Chemistry
Year of publication	2012
Journal volume	51
Pages of publication	9165 - 9167
a	10.453 ± 0.001 Å
b	19.0104 ± 0.0019 Å
c	11.7359 ± 0.0012 Å
α	90°
β	94.083 ± 0.001°
γ	90°
Cell volume	2326.2 ± 0.4 Å³
Cell temperature	141 ± 2 K
Ambient diffraction temperature	141 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0389
Residual factor for significantly intense reflections	0.0214
Weighted residual factors for significantly intense reflections	0.0449
Weighted residual factors for all reflections included in the refinement	0.0474
Goodness-of-fit parameter for all reflections included in the refinement	1.362
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
301839 (current)	2025-08-21	Add cross-references to PubChem compounds in COD range 4/33/ Each referenced PubChem compound corresponds to the full crystal structure.	4330281.cif
179405	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/02.	4330281.cif
79533	2013-04-05	cif/ Adding structures of 4330281 via cif-deposit CGI script.	4330281.cif