Crystallography Open Database

Information card for entry 1558142

Preview

Coordinates	1558142.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C53 H75 N2 O2 U
Calculated formula	C53 H75 N2 O2 U
SMILES	[U]1(Oc2c(cccc2C(C)C)C(C)C)(Oc2c(cccc2C(C)C)C(C)C)[N](=C(C=C(N1c1c(C(C)C)cccc1C(C)C)C)C)c1c(C(C)C)cccc1C(C)C
Title of publication	Structure and magnetism of a tetrahedral uranium(iii) β-diketiminate complex.
Authors of publication	Boreen, Michael A.; Gould, Colin A.; Booth, Corwin H.; Hohloch, Stephan; Arnold, John
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2020
Journal volume	49
Journal issue	23
Pages of publication	7938 - 7944
a	20.552 ± 0.0007 Å
b	11.9252 ± 0.0004 Å
c	21.1347 ± 0.0007 Å
α	90°
β	112.708 ± 0.002°
γ	90°
Cell volume	4778.3 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 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	0.0427
Residual factor for significantly intense reflections	0.0298
Weighted residual factors for significantly intense reflections	0.0632
Weighted residual factors for all reflections included in the refinement	0.0687
Goodness-of-fit parameter for all reflections included in the refinement	1.033
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
253923 (current)	2020-07-06	cif/ Updating files of 1558142, 1558143 Original log message: Adding full bibliography for 1558142--1558143.cif.	1558142.cif
252453	2020-05-29	cif/ Adding structures of 1558142, 1558143 via cif-deposit CGI script.	1558142.cif