Crystallography Open Database

Information card for entry 1546483

Preview

Coordinates	1546483.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C66 H150 N8 Si6 Te U2
Calculated formula	C66 H150 N8 Si6 Te U2
Title of publication	Assessing Crystal Field and Magnetic Interactions in Diuranium-μ-Chalcogenide Triamidoamine Complexes With UIV-E-UIV Cores (E = S, Se, Te): Implications for Determining the Presence or Absence of Actinide-Actinide Magnetic Exchange
Authors of publication	Gardner, Benedict; King, David M.; Tuna, Floriana; Wooles, Ashley; Chilton, Nicholas F.; Liddle, Stephen
Journal of publication	Chem. Sci.
Year of publication	2017
a	13.8022 ± 0.0003 Å
b	16.3751 ± 0.0005 Å
c	18.0985 ± 0.0006 Å
α	90°
β	92.474 ± 0.003°
γ	90°
Cell volume	4086.7 ± 0.2 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0897
Residual factor for significantly intense reflections	0.0814
Weighted residual factors for significantly intense reflections	0.211
Weighted residual factors for all reflections included in the refinement	0.219
Goodness-of-fit parameter for all reflections included in the refinement	1.143
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
198497 (current)	2017-07-06	cif/ Adding structures of 1546479, 1546480, 1546481, 1546482, 1546483 via cif-deposit CGI script.	1546483.cif