Crystallography Open Database

Information card for entry 4306910

Preview

Coordinates	4306910.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H23 Cl2 N3 O5 U
Calculated formula	C24 H23 Cl2 N3 O5 U
SMILES	[U]123(=O)(=O)([O]=CN(C)C)Oc4ccccc4C=[N]2c2ccccc2[N]3=Cc2ccccc2O1.ClCCl
Title of publication	Structural Characterization and Reactivity of UO2(salophen)L and [UO2(salophen)]2: Dimerization of UO2(salophen) Fragments in Noncoordinating Solvents (salophen =N,N'-Disalicylidene-o-phenylenediaminate, L =N,N-Dimethylformamide, Dimethyl Sulfoxide)
Authors of publication	Koichiro Takao; Yasuhisa Ikeda
Journal of publication	Inorganic Chemistry
Year of publication	2007
Journal volume	46
Pages of publication	1550 - 1562
a	10.667 ± 0.004 Å
b	9.608 ± 0.003 Å
c	24.859 ± 0.01 Å
α	90°
β	100.65 ± 0.03°
γ	90°
Cell volume	2503.9 ± 1.6 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123 ± 2 K
Number of distinct elements	6
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	0.0291
Residual factor for significantly intense reflections	0.0258
Weighted residual factors for significantly intense reflections	0.0633
Weighted residual factors for all reflections included in the refinement	0.065
Goodness-of-fit parameter for all reflections included in the refinement	1.119
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
179107 (current)	2016-03-23	cif/4/30/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/30/69.	4306910.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4306910.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4306910.cif
1194	2010-06-06	cif/4/ Adding data from Inorg-Chem-2007_01-13/ processing directory.	4306910.cif