Crystallography Open Database

Information card for entry 4335206

Preview

Coordinates	4335206.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C98 H76 N8 O4 U2
Calculated formula	C98 H76 N8 O4 U2
SMILES	[n]12[U]34567N([C@H](c8c(ccc9ccccc89)O3)[C@@H]3c8c(ccc9ccccc89)[O]6[U]689%10(N([C@@H](c%11c(ccc%12ccccc%11%12)O8)[C@@H](c8c(ccc%11ccccc8%11)[O]7%10)N4c4cccc7ccc(C)[n]5c47)c4cccc5ccc([n]6c45)C)N3c3cccc4ccc(C)[n]9c34)c3cccc(ccc1C)c23.c1(ccccc1)C.c1(ccccc1)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	11.1583 ± 0.0006 Å
b	13.4999 ± 0.0007 Å
c	13.5383 ± 0.0005 Å
α	97.421 ± 0.003°
β	107.177 ± 0.004°
γ	98.029 ± 0.004°
Cell volume	1897.74 ± 0.17 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1494
Residual factor for significantly intense reflections	0.078
Weighted residual factors for significantly intense reflections	0.114
Weighted residual factors for all reflections included in the refinement	0.1516
Goodness-of-fit parameter for all reflections included in the refinement	0.939
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.	4335206.cif
101114	2014-02-10	cif/ Adding structures of 4335206 via cif-deposit CGI script.	4335206.cif