Crystallography Open Database

Information card for entry 4133540

Preview

Coordinates	4133540.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C76 H108 N2 O U
Calculated formula	C76 H108 N2 O U
Title of publication	Synthesis and Characterization of a Neutral U(II) Arene Sandwich Complex.
Authors of publication	Billow, Brennan S.; Livesay, Brooke N.; Mokhtarzadeh, Charles C.; McCracken, John; Shores, Matthew P.; Boncella, James M.; Odom, Aaron L.
Journal of publication	Journal of the American Chemical Society
Year of publication	2018
Journal volume	140
Journal issue	50
Pages of publication	17369 - 17373
a	18.0536 ± 0.0013 Å
b	16.8949 ± 0.0012 Å
c	22.7572 ± 0.0016 Å
α	90°
β	106.972 ± 0.001°
γ	90°
Cell volume	6639 ± 0.8 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0317
Residual factor for significantly intense reflections	0.0274
Weighted residual factors for significantly intense reflections	0.0686
Weighted residual factors for all reflections included in the refinement	0.0708
Goodness-of-fit parameter for all reflections included in the refinement	1.07
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
243299 (current)	2019-11-26	cif/ Adding structures of 4133539, 4133540, 4133541, 4133542 via cif-deposit CGI script.	4133540.cif