Crystallography Open Database

Information card for entry 7039239

Preview

Coordinates	7039239.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H26 N4 O6 U
Calculated formula	C26 H26 N4 O6 U
SMILES	C(=[N]\1[U]2(=O)([N](=C(\c3ccccc3)c3ncccc3)\O2)(=O)(O1)([OH]C)[OH]C)(c1ccccc1)/c1ncccc1
Title of publication	Binding of oxime group to uranyl ion.
Authors of publication	Tsantis, Sokratis T.; Zagoraiou, Eirini; Savvidou, Aikaterini; Raptopoulou, Catherine P.; Psycharis, Vassilis; Szyrwiel, Lukasz; Hołyńska, Małgorzata; Perlepes, Spyros P.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2016
Journal volume	45
Journal issue	22
Pages of publication	9307 - 9319
a	9.544 ± 0.003 Å
b	8.859 ± 0.003 Å
c	15.195 ± 0.004 Å
α	90°
β	91.73 ± 0.03°
γ	90°
Cell volume	1284.2 ± 0.7 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.0569
Residual factor for significantly intense reflections	0.0323
Weighted residual factors for significantly intense reflections	0.0679
Weighted residual factors for all reflections included in the refinement	0.0774
Goodness-of-fit parameter for all reflections included in the refinement	1
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
185307 (current)	2016-08-07	cif/ Updating files of 7039239, 7039240, 7039241, 7039242 Original log message: Adding full bibliography for 7039239--7039242.cif.	7039239.cif
182875	2016-05-11	cif/ Adding structures of 7039239, 7039240, 7039241, 7039242 via cif-deposit CGI script.	7039239.cif