Crystallography Open Database

Information card for entry 1549791

Preview

Coordinates	1549791.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C50 H54 Fe N8 O5 U
Calculated formula	C50 H54 Fe N8 O5 U
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	19.5691 ± 0.0007 Å
b	13.9341 ± 0.0003 Å
c	19.6431 ± 0.0006 Å
α	90°
β	118.26 ± 0.004°
γ	90°
Cell volume	4717.8 ± 0.3 Å³
Cell temperature	139.99 ± 0.13 K
Ambient diffraction temperature	139.99 ± 0.13 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	0.0355
Residual factor for significantly intense reflections	0.0326
Weighted residual factors for significantly intense reflections	0.0858
Weighted residual factors for all reflections included in the refinement	0.0893
Goodness-of-fit parameter for all reflections included in the refinement	1.032
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.	1549791.cif
209700	2018-08-15	cif/ Adding structures of 1549786, 1549787, 1549788, 1549789, 1549790, 1549791, 1549792 via cif-deposit CGI script.	1549791.cif