Crystallography Open Database

Information card for entry 4348352

Preview

Coordinates	4348352.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C29 H19 Br2 N3 O6 U
Calculated formula	C29 H19 Br2 N3 O6 U
SMILES	Brc1ccc(cc1)C(=O)O[U]12(=O)(=O)(OC(=O)c3ccc(Br)cc3)[n]3c(c4[n]2cccc4)cccc3c2[n]1cccc2
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	8.7005 ± 0.0004 Å
b	10.3737 ± 0.0005 Å
c	16.696 ± 0.0008 Å
α	107.848 ± 0.004°
β	95.093 ± 0.004°
γ	95.359 ± 0.003°
Cell volume	1417.13 ± 0.12 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0447
Residual factor for significantly intense reflections	0.0318
Weighted residual factors for significantly intense reflections	0.0652
Weighted residual factors for all reflections included in the refinement	0.0695
Goodness-of-fit parameter for all reflections included in the refinement	1.011
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.	4348352.cif