Crystallography Open Database

Information card for entry 4301463

Preview

Coordinates	4301463.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C72 H60 Cl2 O14 P4 U
Calculated formula	C72 H60 Cl2 O14 P4 U
SMILES	c1ccccc1P(c1ccccc1)(=[O][U](=O)(=O)([O]=P(c1ccccc1)(c1ccccc1)c1ccccc1)([O]=P(c1ccccc1)(c1ccccc1)c1ccccc1)[O]=P(c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O
Title of publication	Complex Formation of Uranyl Ion with Triphenylphosphine Oxide and Its Ligand Exchange Reaction in 1-Butyl-3-methylimidazolium Nonafluorobutanesulfonate Ionic Liquid
Authors of publication	Koichiro Takao; Takafumi Takahashi; Yasuhisa Ikeda
Journal of publication	Inorganic Chemistry
Year of publication	2009
Journal volume	48
Pages of publication	1744 - 1752
a	9.748 ± 0.005 Å
b	24.977 ± 0.012 Å
c	13.99 ± 0.009 Å
α	90°
β	99.64 ± 0.05°
γ	90°
Cell volume	3358 ± 3 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
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	0.0867
Residual factor for significantly intense reflections	0.0487
Weighted residual factors for significantly intense reflections	0.098
Weighted residual factors for all reflections included in the refinement	0.11
Goodness-of-fit parameter for all reflections included in the refinement	1.054
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179052 (current)	2016-03-22	cif/4/30/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/30/14.	4301463.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4301463.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4301463.cif
1054	2010-03-28	cif/4/ Adding data extracted in Inorg-Chem-2009_01-10/ processing.	4301463.cif