Crystallography Open Database

Information card for entry 4306911

Preview

Coordinates	4306911.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H20 N2 O5 S U
Calculated formula	C22 H20 N2 O5 S U
SMILES	[U]123(=O)(=O)([O]=S(C)C)Oc4ccccc4C=[N]2c2ccccc2[N]3=Cc2ccccc2O1
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	13.303 ± 0.007 Å
b	9.422 ± 0.004 Å
c	17.205 ± 0.008 Å
α	90°
β	94.45 ± 0.05°
γ	90°
Cell volume	2150 ± 1.8 Å³
Cell temperature	113 ± 2 K
Ambient diffraction temperature	113 ± 2 K
Number of distinct elements	6
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0313
Residual factor for significantly intense reflections	0.0267
Weighted residual factors for significantly intense reflections	0.0658
Weighted residual factors for all reflections included in the refinement	0.0677
Goodness-of-fit parameter for all reflections included in the refinement	1.088
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.	4306911.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4306911.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4306911.cif
1194	2010-06-06	cif/4/ Adding data from Inorg-Chem-2007_01-13/ processing directory.	4306911.cif