Crystallography Open Database

Information card for entry 4117766

Preview

Coordinates	4117766.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H49 O0.5 P2 U
Calculated formula	C36 H49 O0.5 P2 U
SMILES	[U]1([P](CC[P]1(C)C)(C)C)(Cc1ccccc1)(Cc1ccccc1)(Cc1ccccc1)Cc1ccccc1.O(CC)CC
Title of publication	Carbon-Carbon Reductive Elimination from Homoleptic Uranium(IV) Alkyls Induced by Redox-Active Ligands
Authors of publication	Steven J. Kraft; Phillip E. Fanwick; Suzanne C. Bart
Journal of publication	Journal of the American Chemical Society
Year of publication	2012
Journal volume	134
Pages of publication	6160 - 6168
a	11.3441 ± 0.0002 Å
b	16.1454 ± 0.0003 Å
c	21.4984 ± 0.0004 Å
α	105.701 ± 0.0006°
β	98.6041 ± 0.0007°
γ	110.11 ± 0.0006°
Cell volume	3428.88 ± 0.11 Å³
Cell temperature	150 ± 0.02 K
Ambient diffraction temperature	150 ± 0.02 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	0.09
Residual factor for significantly intense reflections	0.056
Weighted residual factors for significantly intense reflections	0.108
Weighted residual factors for all reflections included in the refinement	0.126
Goodness-of-fit parameter for all reflections included in the refinement	1.095
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MO-Kα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
288505 (current)	2023-12-22	Corrected misspelt data names in multiple entries using the 'cif_correct_tags' program and a data name replacement file from cod-tools revision 9880. This change affected only the misspelt variants of the '_iucr_refine_instructions_details' data name.	4117766.cif
176467	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4117766.cif
74891	2013-03-05	cif/ Adding structures of 4117766 via cif-deposit CGI script.	4117766.cif