Crystallography Open Database

Information card for entry 1548088

Preview

Coordinates	1548088.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C66 H150 Cs2 N10 Si6 U2
Calculated formula	C66 H150 Cs2 N10 Si6 U2
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	22.76348 ± 0.00012 Å
b	17.0958 ± 0.00009 Å
c	22.50605 ± 0.00012 Å
α	90°
β	100.782 ± 0.0005°
γ	90°
Cell volume	8603.83 ± 0.08 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	I 1 2/a 1
Hall space group symbol	-I 2ya
Residual factor for all reflections	0.0396
Residual factor for significantly intense reflections	0.0395
Weighted residual factors for significantly intense reflections	0.1031
Weighted residual factors for all reflections included in the refinement	0.1031
Goodness-of-fit parameter for all reflections included in the refinement	1.074
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
203272 (current)	2017-11-17	cif/ Adding structures of 1548088 via cif-deposit CGI script.	1548088.cif