Crystallography Open Database

Information card for entry 1548092

Preview

Coordinates	1548092.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C41 H91 Li N5 O4 Si3 U
Calculated formula	C41 H91 Li N5 O4 Si3 U
SMILES	[U]123(N([Si](C(C)C)(C(C)C)C(C)C)CC[N]3(CCN1[Si](C(C)C)(C(C)C)C(C)C)CCN2[Si](C(C)C)(C(C)C)C(C)C)#[N][Li]123[O]4CC[O]1CC[O]2CC[O]3CC4
Title of publication	Molecular and electronic structure of terminal and alkali metal-capped uranium(V) nitride complexes
Authors of publication	David M. King; Peter A. Cleaves; Ashley J. Wooles; Benedict M. Gardner; Nicholas F. Chilton; Floriana Tuna; William Lewis; Eric J. L. McInnes; Stephen T. Liddle
Journal of publication	Nature Communications
Year of publication	2016
Journal volume	7
Pages of publication	13773
a	25.5519 ± 0.0002 Å
b	13.37345 ± 0.00009 Å
c	14.81292 ± 0.0001 Å
α	90°
β	90°
γ	90°
Cell volume	5061.83 ± 0.06 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	7
Space group number	33
Hermann-Mauguin space group symbol	P n 21 a
Hall space group symbol	P -2ac -2n
Residual factor for all reflections	0.0304
Residual factor for significantly intense reflections	0.0285
Weighted residual factors for significantly intense reflections	0.0708
Weighted residual factors for all reflections included in the refinement	0.0728
Goodness-of-fit parameter for all reflections included in the refinement	1.017
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
203276 (current)	2017-11-17	cif/ Adding structures of 1548092 via cif-deposit CGI script.	1548092.cif