Crystallography Open Database

Information card for entry 4347186

Preview

Coordinates	4347186.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C31 H48 Cl4 Li2 N2 O3 U
Calculated formula	C31 H48 Cl4 Li2 N2 O3 U
SMILES	[U]123456789%10%11(Cl)([Cl][Li]%12([N]2%13[C]%11(C(C)(C)C)=[CH]%10[CH]4=[C]5%13C(C)(C)[C]26[N]3%12[C]9(=[CH]8[CH]7=2)C(C)(C)C)[O]2CCCC2)[Cl][Li]([Cl]1)([O]1CCCC1)[O]1CCCC1
Title of publication	Synthesis of Coordinatively Unsaturated Tetravalent Actinide Complexes with η(5) Coordination of Pyrrole.
Authors of publication	Batrice, Rami J.; Fridman, Natalia; Eisen, Moris S.
Journal of publication	Inorganic chemistry
Year of publication	2016
Journal volume	55
Journal issue	6
Pages of publication	2998 - 3006
a	10.26 ± 0.0003 Å
b	11.209 ± 0.0003 Å
c	17.849 ± 0.0006 Å
α	96.878 ± 0.001°
β	99.668 ± 0.001°
γ	110.134 ± 0.0016°
Cell volume	1864.61 ± 0.1 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0721
Residual factor for significantly intense reflections	0.0683
Weighted residual factors for significantly intense reflections	0.1843
Weighted residual factors for all reflections included in the refinement	0.1857
Goodness-of-fit parameter for all reflections included in the refinement	1.222
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
232210 (current)	2019-11-23	cif/ Adding structures of 4347186 via cif-deposit CGI script.	4347186.cif