Crystallography Open Database

Information card for entry 4347777

Preview

Coordinates	4347777.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 Ce N6 O14
Calculated formula	C24 Ce N6 O14
SMILES	[Ce]1234([O]=N(=O)O2)(ON(=[O]1)=O)([O]=N(O3)=O)(ON(=[O]4)=O)([O]=C(N(CCCC)CCCC)CCC)[O]=C(N(CCCC)CCCC)CCC
Title of publication	Structures of Plutonium(IV) and Uranium(VI) with N,N-Dialkyl Amides from Crystallography, X-ray Absorption Spectra, and Theoretical Calculations.
Authors of publication	Acher, Eléonor; Hacene Cherkaski, Yanis; Dumas, Thomas; Tamain, Christelle; Guillaumont, Dominique; Boubals, Nathalie; Javierre, Guilhem; Hennig, Christoph; Solari, Pier Lorenzo; Charbonnel, Marie-Christine
Journal of publication	Inorganic chemistry
Year of publication	2016
Journal volume	55
Journal issue	11
Pages of publication	5558 - 5569
a	35.3316 ± 0.0015 Å
b	10.8597 ± 0.0005 Å
c	20.3225 ± 0.0009 Å
α	90°
β	110.578 ± 0.001°
γ	90°
Cell volume	7300 ± 0.6 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	4
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	0.0945
Residual factor for significantly intense reflections	0.0612
Weighted residual factors for significantly intense reflections	0.1651
Weighted residual factors for all reflections included in the refinement	0.1937
Goodness-of-fit parameter for all reflections included in the refinement	1.033
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
232496 (current)	2019-11-23	cif/ Adding structures of 4347777 via cif-deposit CGI script.	4347777.cif