Crystallography Open Database

Information card for entry 4335208

Preview

Coordinates	4335208.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H30 N4 O4 U
Calculated formula	C42 H30 N4 O4 U
SMILES	[U]123(=O)(=O)(Oc4ccc5ccccc5c4C=[N]1c1cccc4ccc([n]2c14)C)Oc1ccc2ccccc2c1C=[N]3c1cccc2ccc(nc12)C
Title of publication	Synthesis of Electron-Rich Uranium(IV) Complexes Supported by Tridentate Schiff Base Ligands and Their Multi-Electron Redox Chemistry
Authors of publication	Clément Camp; Julie Andrez; Jacques Pécaut; Marinella Mazzanti
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	7078 - 7086
a	16.2723 ± 0.0005 Å
b	11.8342 ± 0.0003 Å
c	18.1568 ± 0.0005 Å
α	90°
β	108.281 ± 0.003°
γ	90°
Cell volume	3319.98 ± 0.17 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
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	0.1015
Residual factor for significantly intense reflections	0.045
Weighted residual factors for significantly intense reflections	0.0736
Weighted residual factors for all reflections included in the refinement	0.0874
Goodness-of-fit parameter for all reflections included in the refinement	1.012
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
179455 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/52.	4335208.cif
101116	2014-02-10	cif/ Adding structures of 4335208 via cif-deposit CGI script.	4335208.cif