Crystallography Open Database

Information card for entry 4130526

Preview

Coordinates	4130526.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C68 H124 Bi7.68 K3 N6 O18 Pb5.98 U
Calculated formula	C68 H124 Bi7.6808 K3 N6 O18 Pb5.9786 U
Title of publication	Main Group Metal-Actinide Magnetic Coupling and Structural Response Upon U(4+) Inclusion Into Bi, Tl/Bi, or Pb/Bi Cages.
Authors of publication	Lichtenberger, Niels; Wilson, Robert J.; Eulenstein, Armin R.; Massa, Werner; Clérac, Rodolphe; Weigend, Florian; Dehnen, Stefanie
Journal of publication	Journal of the American Chemical Society
Year of publication	2016
Journal volume	138
Journal issue	29
Pages of publication	9033 - 9036
a	15.1698 ± 0.0003 Å
b	23.0713 ± 0.0005 Å
c	30.3293 ± 0.0007 Å
α	90°
β	96.032 ± 0.002°
γ	90°
Cell volume	10556.1 ± 0.4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	8
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	0.0894
Residual factor for significantly intense reflections	0.045
Weighted residual factors for significantly intense reflections	0.0584
Weighted residual factors for all reflections included in the refinement	0.0653
Goodness-of-fit parameter for all reflections included in the refinement	1.151
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
240933 (current)	2019-11-25	cif/ Adding structures of 4130526 via cif-deposit CGI script.	4130526.cif