Crystallography Open Database

Information card for entry 1542398

Preview

Coordinates	1542398.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H47 Br O U
Calculated formula	C32 H47 Br O U
SMILES	[U]12345678(Br)(Oc9c(cccc9C(C)C)C(C)C)([c]9([c]1([c]2([c]3([c]49C)C)C)C)C)[c]1([c]8([c]7([c]6([c]51C)C)C)C)C
Title of publication	Expanding the Chemistry of Actinide Metallocene Bromides. Synthesis, Properties and Molecular Structures of the Tetravalent and Trivalent Uranium Bromide Complexes: (C5Me4R)2UBr2, (C5Me4R)2U(O-2,6-iPr2C6H3)(Br), and [K(THF)][(C5Me4R)2UBr2] (R = Me, Et)
Authors of publication	Lichtscheidl, Alejandro; Pagano, Justin; Scott, Brian; Nelson, Andrew; Kiplinger, Jaqueline
Journal of publication	Inorganics
Year of publication	2016
Journal volume	4
Journal issue	1
Pages of publication	1
a	16.436 ± 0.004 Å
b	18.645 ± 0.005 Å
c	19.723 ± 0.005 Å
α	90°
β	90°
γ	90°
Cell volume	6044 ± 3 Å³
Cell temperature	140 ± 1 K
Ambient diffraction temperature	140 ± 1 K
Number of distinct elements	5
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0705
Residual factor for significantly intense reflections	0.0416
Weighted residual factors for significantly intense reflections	0.0865
Weighted residual factors for all reflections included in the refinement	0.1004
Goodness-of-fit parameter for all reflections included in the refinement	0.991
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
175830 (current)	2016-02-04	cif/ Adding structures of 1542398 via cif-deposit CGI script.	1542398.cif