Crystallography Open Database

Information card for entry 7032717

Preview

Coordinates	7032717.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H24 N2 O5 U
Calculated formula	C20 H24 N2 O5 U
SMILES	[U]123(Oc4ccccc4C=[N]2CC(C[N]3=Cc2c(O1)cccc2)(C)C)(=O)(=O)[OH]C
Title of publication	Novel uranyl(VI) complexes incorporating propylene-bridged salen-type N2O2-ligands: a structural and computational approach.
Authors of publication	Azam, Mohammad; Al-Resayes, Saud I; Velmurugan, Gunasekaran; Venuvanalingam, Ponnambalam; Wagler, Jörg; Kroke, Edwin
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2015
Journal volume	44
Journal issue	2
Pages of publication	568 - 577
a	11.9341 ± 0.0006 Å
b	12.2074 ± 0.0005 Å
c	15.0211 ± 0.0008 Å
α	90°
β	105.791 ± 0.004°
γ	90°
Cell volume	2105.75 ± 0.18 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0289
Residual factor for significantly intense reflections	0.0233
Weighted residual factors for significantly intense reflections	0.0533
Weighted residual factors for all reflections included in the refinement	0.0555
Goodness-of-fit parameter for all reflections included in the refinement	1.085
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
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	7032717.cif
131018	2015-02-04	cif/ Updating files of 7032716, 7032717 Original log message: Adding full bibliography for 7032716--7032717.cif.	7032717.cif
124469	2014-10-02	cif/ Adding structures of 7032716, 7032717 via cif-deposit CGI script.	7032717.cif