Crystallography Open Database

Information card for entry 4110813

Preview

Coordinates	4110813.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C46 H57 Co N2 O5 U
Calculated formula	C46 H56 Co N2 O5 U
SMILES	[U]123(Oc4c(cc(cc4C=[N]1c1ccccc1[N]3=Cc1cc(cc(c1O2)C(C)(C)C)C(C)(C)C)C(C)(C)C)C(C)(C)C)(=O)(=O)=O.[Co]12345678([cH]9[cH]1[cH]2[cH]3[cH]49)[cH]1[cH]5[cH]6[cH]7[cH]81
Title of publication	Contrasting Solvent and Capping Ligand Effects Directing the Photochemistry of Uranyl(VI) Schiff Base Complexes
Authors of publication	Anthony E. Vaughn; Daniel B. Bassil; Charles L. Barnes; Sheryl A. Tucker; Paul B. Duval
Journal of publication	Journal of the American Chemical Society
Year of publication	2006
Journal volume	128
Pages of publication	10656 - 10657
a	17.896 ± 0.002 Å
b	19.084 ± 0.003 Å
c	17.98 ± 0.002 Å
α	90°
β	113.337 ± 0.002°
γ	90°
Cell volume	5638.3 ± 1.3 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 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	0.0862
Residual factor for significantly intense reflections	0.046
Weighted residual factors for significantly intense reflections	0.1092
Weighted residual factors for all reflections included in the refinement	0.1228
Goodness-of-fit parameter for all reflections included in the refinement	0.95
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
178879 (current)	2016-03-22	cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/08.	4110813.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4110813.cif
59665	2012-06-13	cif/ Adding structures of 4110813 via cif-deposit CGI script.	4110813.cif