Crystallography Open Database

Information card for entry 7043901

Preview

Coordinates	7043901.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34.5 H54 N2 U
Calculated formula	C24 H42 N2 U
SMILES	[U]12345678(N(C)C)(N(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	Revisiting the Bis(dimethylamido) Metallocene Complexes of Thorium and Uranium: Improved Syntheses, Structure, Spectroscopy, and Redox Energetics of (C5Me5)2An(NMe2)2 (An = Th, U)
Authors of publication	Erickson, Karla A.; Kagan, Benjamin D.; Scott, Brian; Morris , David; Kiplinger, Jaqueline
Journal of publication	Dalton Trans.
Year of publication	2017
a	16.866 ± 0.004 Å
b	16.866 ± 0.004 Å
c	15.655 ± 0.004 Å
α	90°
β	90°
γ	120°
Cell volume	3856.6 ± 1.6 Å³
Cell temperature	100 ± 1 K
Ambient diffraction temperature	100 ± 1 K
Number of distinct elements	4
Space group number	173
Hermann-Mauguin space group symbol	P 63
Hall space group symbol	P 6c
Residual factor for all reflections	0.0241
Residual factor for significantly intense reflections	0.0183
Weighted residual factors for significantly intense reflections	0.0371
Weighted residual factors for all reflections included in the refinement	0.0382
Goodness-of-fit parameter for all reflections included in the refinement	1.109
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
199487 (current)	2017-08-03	cif/ Adding structures of 7043900, 7043901 via cif-deposit CGI script.	7043901.cif