Crystallography Open Database

Information card for entry 7055523

Preview

Coordinates	7055523.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H22 N2 O18 U2
Calculated formula	C28 H22 N2 O18 U2
SMILES	C1(=O)O[U]2(=O)([OH2])(=O)(OC(=O)c3c[nH+]ccc3)[O]=C(c3ccccc13)O[U]1(=O)(=O)(OC(=O)c3c[nH+]ccc3)([OH2])OC(=O)c3c(C(=[O]1)O2)cccc3
Title of publication	A family of uranium‒carboxylic acid hybrid materials: synthesis, structure and mixed-dye selective adsorption
Authors of publication	Gao, Xue; Song, Jian; Sun, Li Xian; Xing, Yong Heng; Bai, Feng Ying; Shi, Zhan
Journal of publication	New J. Chem.
Year of publication	2016
Journal volume	40
Journal issue	7
Pages of publication	6077
a	13.7812 ± 0.0013 Å
b	7.501 ± 0.0008 Å
c	15.1787 ± 0.0014 Å
α	90°
β	99.598 ± 0.001°
γ	90°
Cell volume	1547.1 ± 0.3 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 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	0.0215
Residual factor for significantly intense reflections	0.0181
Weighted residual factors for significantly intense reflections	0.0425
Weighted residual factors for all reflections included in the refinement	0.0434
Goodness-of-fit parameter for all reflections included in the refinement	1.061
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
185578 (current)	2016-08-07	cif/ Updating files of 7055523, 7055524, 7055525, 7055526 Original log message: Adding full bibliography for 7055523--7055526.cif.	7055523.cif
182396	2016-04-29	cif/ Adding structures of 7055523, 7055524, 7055525, 7055526 via cif-deposit CGI script.	7055523.cif