Crystallography Open Database

Information card for entry 4082954

Preview

Coordinates	4082954.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H61 I3 N O4 U
Calculated formula	C38 H61 I3 N O4 U
SMILES	[U]1(I)(I)(I)(Oc2c(N1c1c(cccc1C(C)C)C(C)C)cc(cc2C(C)(C)C)C(C)(C)C)([O]1CCCC1)[O]1CCCC1.O1CCCC1
Title of publication	Radical Reductive Elimination from Tetrabenzyluranium Mediated by an Iminoquinone Ligand
Authors of publication	Matson, Ellen M.; Franke, Sebastian M.; Anderson, Nickolas H.; Cook, Timothy D.; Fanwick, Phillip E.; Bart, Suzanne C.
Journal of publication	Organometallics
Year of publication	2014
Journal volume	33
Journal issue	8
Pages of publication	1964
a	11.1652 ± 0.0003 Å
b	11.1044 ± 0.0003 Å
c	35.4297 ± 0.001 Å
α	90°
β	92.594 ± 0.002°
γ	90°
Cell volume	4388.2 ± 0.2 Å³
Cell temperature	150 ± 0.02 K
Ambient diffraction temperature	150 ± 0.02 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.047
Residual factor for significantly intense reflections	0.046
Weighted residual factors for significantly intense reflections	0.13
Weighted residual factors for all reflections included in the refinement	0.131
Goodness-of-fit parameter for all reflections included in the refinement	1.1
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CU-Kα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4082954.cif
112791	2014-05-04	cif/ Updating files of 4082952, 4082953, 4082954 Original log message: Adding full bibliography for 4082952--4082954.cif.	4082954.cif
109178	2014-04-09	cif/ Adding structures of 4082954 via cif-deposit CGI script.	4082954.cif