Crystallography Open Database

Information card for entry 4335205

Preview

Coordinates	4335205.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C47 H35 Cl2 N5 O2 U
Calculated formula	C47 H35 Cl2 N5 O2 U
SMILES	[U]1234(Cl)(Cl)(Oc5ccc6ccccc6c5C=[N]1c1cccc5ccc([n]2c15)C)Oc1ccc2ccccc2c1C=[N]3c1cccc2ccc([n]4c12)C.n1ccccc1
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	10.0338 ± 0.0004 Å
b	12.7361 ± 0.0005 Å
c	16.688 ± 0.0007 Å
α	101.098 ± 0.003°
β	101.394 ± 0.003°
γ	102.627 ± 0.003°
Cell volume	1977.11 ± 0.15 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0618
Residual factor for significantly intense reflections	0.0511
Weighted residual factors for significantly intense reflections	0.1229
Weighted residual factors for all reflections included in the refinement	0.1286
Goodness-of-fit parameter for all reflections included in the refinement	1.155
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.	4335205.cif
101113	2014-02-10	cif/ Adding structures of 4335205 via cif-deposit CGI script.	4335205.cif