Crystallography Open Database

Information card for entry 4086937

Preview

Coordinates	4086937.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H55 N3 O U
Calculated formula	C36 H55 N3 O U
SMILES	[U]123456(OC(C)(C)C)(N(CC[NH]1CCN2c1c(C)cc(C)cc1C)c1c(C)cc(C)cc1C)[c]1([c]6([c]5([c]4([c]31C)C)C)C)C
Title of publication	A Uranium(IV) Triamide Species with Brønsted Basic Ligand Character: Metal‒Ligand Cooperativity in the f Block
Authors of publication	Kiernicki, John J.; Staun, Selena L.; Zeller, Matthias; Bart, Suzanne C.
Journal of publication	Organometallics
Year of publication	2017
Journal volume	36
Journal issue	3
Pages of publication	665
a	10.241 ± 0.006 Å
b	11.957 ± 0.007 Å
c	13.912 ± 0.008 Å
α	82.53 ± 0.02°
β	81.92 ± 0.02°
γ	87.58 ± 0.03°
Cell volume	1671.8 ± 1.7 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	0.0652
Residual factor for significantly intense reflections	0.047
Weighted residual factors for significantly intense reflections	0.1045
Weighted residual factors for all reflections included in the refinement	0.1161
Goodness-of-fit parameter for all reflections included in the refinement	1.08
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
193621 (current)	2017-03-04	cif/ Updating files of 4086932, 4086933, 4086934, 4086935, 4086936, 4086937 Original log message: Adding full bibliography for 4086932--4086937.cif.	4086937.cif
190476	2017-01-14	cif/ Adding structures of 4086937 via cif-deposit CGI script.	4086937.cif