Crystallography Open Database

Information card for entry 4348350

Preview

Coordinates	4348350.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H32 N4 O20 U4
Calculated formula	C28 H26 N4 O20 U4
SMILES	c1cc2c(nccc2)c2c1cccn2.O=[U]123([O]=C(O[U]4(=O)(=O)O[U]5(=O)(=O)([O]2[U](=O)(=O)(O1)[O]=C(O5)C)([O]34)[OH2])C)(=O)[OH2].O.c1ccc2ccc3cccnc3c2n1.O
Title of publication	Combining coordination and supramolecular chemistry to explore uranyl assembly in the solid state
Authors of publication	Carter, Korey P.; Cahill, Christopher L.
Journal of publication	Inorganic Chemistry Frontiers
Year of publication	2015
Journal volume	2
Journal issue	2
Pages of publication	141
a	7.576 ± 0.006 Å
b	15.177 ± 0.006 Å
c	16.86 ± 0.007 Å
α	90°
β	102.094 ± 0.006°
γ	90°
Cell volume	1895.6 ± 1.9 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.0265
Residual factor for significantly intense reflections	0.0204
Weighted residual factors for significantly intense reflections	0.044
Weighted residual factors for all reflections included in the refinement	0.0453
Goodness-of-fit parameter for all reflections included in the refinement	1.054
Diffraction radiation probe	x-ray
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
232884 (current)	2019-11-23	cif/ Adding structures of 4348347, 4348348, 4348349, 4348350, 4348351, 4348352, 4348353, 4348354, 4348355, 4348356, 4348357, 4348358 via cif-deposit CGI script.	4348350.cif