Crystallography Open Database

Information card for entry 4109450

Preview

Coordinates	4109450.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Ce12HOPO
Formula	C20 H23 Ce N4 O11.5
Calculated formula	C20 H20 Ce N4 O11.5
SMILES	[Ce]1234([O]=n5c(O1)cccc5)([O]=n1c(O2)cccc1)([O]=n1c(O3)cccc1)[O]=n1c(O4)cccc1.O.O.O.O
Title of publication	Characterization of a Mixed Salt of 1-Hydroxypyridin-2-one Pu(IV) Complexes1
Authors of publication	Anne E. V. Gorden; Jide Xu; Géza Szigethy; Allen Oliver; David K. Shuh; Kenneth N. Raymond
Journal of publication	Journal of the American Chemical Society
Year of publication	2007
Journal volume	129
Pages of publication	6674 - 6675
a	8.6756 ± 0.0008 Å
b	15.8718 ± 0.0014 Å
c	18.6435 ± 0.0016 Å
α	72.523 ± 0.001°
β	82.943 ± 0.002°
γ	85.424 ± 0.002°
Cell volume	2427.6 ± 0.4 Å³
Cell temperature	158 ± 2 K
Ambient diffraction temperature	158 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0456
Residual factor for significantly intense reflections	0.0299
Weighted residual factors for significantly intense reflections	0.0677
Weighted residual factors for all reflections included in the refinement	0.0724
Goodness-of-fit parameter for all reflections included in the refinement	0.99
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4109450.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4109450.cif
58224	2012-05-25	cif/ Adding structures of 4109450 via cif-deposit CGI script.	4109450.cif