Crystallography Open Database

Information card for entry 4082953

Preview

Coordinates	4082953.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H67 N O3 U
Calculated formula	C48 H67 N O3 U
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	11.1583 ± 0.0007 Å
b	11.8042 ± 0.0007 Å
c	17.5607 ± 0.0013 Å
α	77.451 ± 0.006°
β	76.928 ± 0.005°
γ	87.574 ± 0.004°
Cell volume	2199.2 ± 0.3 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 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	0.0533
Residual factor for significantly intense reflections	0.0368
Weighted residual factors for significantly intense reflections	0.0769
Weighted residual factors for all reflections included in the refinement	0.0822
Goodness-of-fit parameter for all reflections included in the refinement	1.007
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
178718 (current)	2016-03-21	cif/4/08/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/08/29.	4082953.cif
112791	2014-05-04	cif/ Updating files of 4082952, 4082953, 4082954 Original log message: Adding full bibliography for 4082952--4082954.cif.	4082953.cif
109177	2014-04-09	cif/ Adding structures of 4082953 via cif-deposit CGI script.	4082953.cif