Crystallography Open Database

Information card for entry 7707879

Preview

Coordinates	7707879.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H26 N4 O7 S2 U
Calculated formula	C25 H26 N4 O7 S2 U
SMILES	[U]12(Oc3ccccc3c3[nH]c4cc5nc6c(nc5cc4[n]13)cccc6)(=O)(=O)([O]=C(O2)C)[O]=S(C)C.S(C)(=O)C
Title of publication	Comparing coordination uranyl(vi) complexes with 2-(1H-imidazo[4,5-b]phenazin-2-yl)phenol and derivatives.
Authors of publication	Hiti, E. A.; Wilkinson, G. R.; Ariyarathna, I. R.; Tutson, C. D.; Hardy, E. E.; Maynard, B. A.; Miliordos, E.; Gorden, A. E. V.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2021
Journal volume	50
Journal issue	32
Pages of publication	11113 - 11122
a	8.585 ± 0.005 Å
b	20.419 ± 0.011 Å
c	16.091 ± 0.009 Å
α	90°
β	101.633 ± 0.008°
γ	90°
Cell volume	2763 ± 3 Å³
Cell temperature	273 ± 2 K
Ambient diffraction temperature	273 ± 2 K
Number of distinct elements	6
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	0.0602
Residual factor for significantly intense reflections	0.045
Weighted residual factors for significantly intense reflections	0.1157
Weighted residual factors for all reflections included in the refinement	0.1281
Goodness-of-fit parameter for all reflections included in the refinement	1.069
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
268737 (current)	2021-09-06	cif/ Updating files of 7707878, 7707879, 7707880 Original log message: Adding full bibliography for 7707878--7707880.cif.	7707879.cif
267736	2021-07-25	cif/ Adding structures of 7707878, 7707879, 7707880 via cif-deposit CGI script.	7707879.cif