Crystallography Open Database

Information card for entry 4124291

Preview

Coordinates	4124291.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C45 H60 N3 O U
Calculated formula	C45 H60 N3 O U
Title of publication	Synthesis, Characterization, and Stoichiometric U-O Bond Scission in Uranyl Species Supported by Pyridine(diimine) Ligand Radicals.
Authors of publication	Kiernicki, John J.; Cladis, Dennis P.; Fanwick, Phillip E.; Zeller, Matthias; Bart, Suzanne C.
Journal of publication	Journal of the American Chemical Society
Year of publication	2015
Journal volume	137
Journal issue	34
Pages of publication	11115 - 11125
a	9.6181 ± 0.0002 Å
b	18.6227 ± 0.0004 Å
c	22.601 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	4048.18 ± 0.15 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	62
Hermann-Mauguin space group symbol	P n m a
Hall space group symbol	-P 2ac 2n
Residual factor for all reflections	0.0403
Residual factor for significantly intense reflections	0.0255
Weighted residual factors for significantly intense reflections	0.0583
Weighted residual factors for all reflections included in the refinement	0.0622
Goodness-of-fit parameter for all reflections included in the refinement	1.002
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
154653 (current)	2015-09-06	cif/ Updating files of 4124290, 4124291, 4124292 Original log message: Adding full bibliography for 4124290--4124292.cif.	4124291.cif
153628	2015-08-25	cif/ Adding structures of 4124291 via cif-deposit CGI script.	4124291.cif