Crystallography Open Database

Information card for entry 4341838

Preview

Coordinates	4341838.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C76 H106 N4 O6 U
Calculated formula	C76 H106 N4 O6 U
Title of publication	A Series of Uranium (IV, V, VI) Tritylimido Complexes, Their Molecular and Electronic Structures and Reactivity with CO2.
Authors of publication	Schmidt, Anna-Corina; Heinemann, Frank W.; Maron, Laurent; Meyer, Karsten
Journal of publication	Inorganic chemistry
Year of publication	2014
Pages of publication	141126065822007
a	11.5614 ± 0.0015 Å
b	13.7841 ± 0.0019 Å
c	22.867 ± 0.003 Å
α	97.328 ± 0.004°
β	91.955 ± 0.003°
γ	108.57 ± 0.003°
Cell volume	3415.4 ± 0.8 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0461
Residual factor for significantly intense reflections	0.0342
Weighted residual factors for significantly intense reflections	0.0745
Weighted residual factors for all reflections included in the refinement	0.079
Goodness-of-fit parameter for all reflections included in the refinement	1.023
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
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	4341838.cif
128244	2014-12-06	cif/ Adding structures of 4341833, 4341834, 4341835, 4341836, 4341837, 4341838 via cif-deposit CGI script.	4341838.cif