Crystallography Open Database

Information card for entry 1549786

Preview

Coordinates	1549786.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H33 N5 O5 U
Calculated formula	C32 H33 N5 O5 U
SMILES	[U]1234(Oc5ccccc5C=[N]2CC[N]3(CC[N]4=Cc2ccccc2O1)CC/N=C/c1ccccc1O)(=O)=O.n1ccccc1
Title of publication	The effect of iron binding on uranyl(v) stability.
Authors of publication	Faizova, Radmila; White, Sarah; Scopelliti, Rosario; Mazzanti, Marinella
Journal of publication	Chemical science
Year of publication	2018
Journal volume	9
Journal issue	38
Pages of publication	7520 - 7527
a	10.3182 ± 0.0003 Å
b	12.47104 ± 0.00019 Å
c	12.8143 ± 0.0003 Å
α	82.2874 ± 0.0017°
β	68.197 ± 0.003°
γ	79.3609 ± 0.0017°
Cell volume	1500.76 ± 0.07 Å³
Cell temperature	100.01 ± 0.1 K
Ambient diffraction temperature	100.01 ± 0.1 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0257
Residual factor for significantly intense reflections	0.0256
Weighted residual factors for significantly intense reflections	0.0673
Weighted residual factors for all reflections included in the refinement	0.0674
Goodness-of-fit parameter for all reflections included in the refinement	1.148
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
228860 (current)	2019-11-17	cif/ Updating files of 1549786, 1549787, 1549788, 1549789, 1549790, 1549791, 1549792 Original log message: Adding full bibliography for 1549786--1549792.cif.	1549786.cif
209700	2018-08-15	cif/ Adding structures of 1549786, 1549787, 1549788, 1549789, 1549790, 1549791, 1549792 via cif-deposit CGI script.	1549786.cif