Crystallography Open Database

Information card for entry 4345185

Preview

Coordinates	4345185.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H57 B2 N13 U
Calculated formula	C40 H57 B2 N13 U
Title of publication	[2π+2π] Cycloaddition of Isocyanates to Uranium(IV) Imido Complexes for the Synthesis of U(IV) κ(2)-Ureato Compounds.
Authors of publication	Tatebe, Caleb J.; Zeller, Matthias; Bart, Suzanne C.
Journal of publication	Inorganic chemistry
Year of publication	2017
Journal volume	56
Journal issue	4
Pages of publication	1956 - 1965
a	12.589 ± 0.003 Å
b	20.726 ± 0.004 Å
c	17.533 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	4574.7 ± 1.7 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	60
Hermann-Mauguin space group symbol	P b c n
Hall space group symbol	-P 2n 2ab
Residual factor for all reflections	0.0699
Residual factor for significantly intense reflections	0.0434
Weighted residual factors for significantly intense reflections	0.1105
Weighted residual factors for all reflections included in the refinement	0.1262
Goodness-of-fit parameter for all reflections included in the refinement	1.059
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
193415 (current)	2017-03-04	cif/ Updating files of 4345183, 4345184, 4345185, 4345186 Original log message: Adding full bibliography for 4345183--4345186.cif.	4345185.cif
191898	2017-02-08	cif/ Adding structures of 4345185 via cif-deposit CGI script.	4345185.cif