Crystallography Open Database

Information card for entry 4124290

Preview

Coordinates	4124290.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C41 H54 N3 O2 U
Calculated formula	C41 H54.586 N3 O2 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	26.3976 ± 0.0009 Å
b	11.7278 ± 0.0005 Å
c	15.5037 ± 0.0006 Å
α	90°
β	125.896 ± 0.005°
γ	90°
Cell volume	3888.2 ± 0.4 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	5
Space group number	12
Hermann-Mauguin space group symbol	C 1 2/m 1
Hall space group symbol	-C 2y
Residual factor for all reflections	0.0616
Residual factor for significantly intense reflections	0.0574
Weighted residual factors for significantly intense reflections	0.1469
Weighted residual factors for all reflections included in the refinement	0.1492
Goodness-of-fit parameter for all reflections included in the refinement	1.066
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
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.	4124290.cif
153627	2015-08-25	cif/ Adding structures of 4124290 via cif-deposit CGI script.	4124290.cif