Crystallography Open Database

Information card for entry 7056860

Preview

Coordinates	7056860.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H28 Br4 N4 O14 U2
Calculated formula	C38 H28 Br4 N4 O14 U2
SMILES	c1cc(cc(c2cc(ccn2)Br)n1)Br.O=[U]12([O]=C(O1)c1ccccc1)(=O)[O]1[O]2[U]21(=O)(=O)[O]=C(O2)c1ccccc1.O=C([O-])C.c1cc(cc(c2cc(ccn2)Br)n1)Br.O=C([O-])C
Title of publication	Synthesis, structural analysis, and supramolecular assembly of a series of in situ generated uranyl‒peroxide complexes with functionalized 2,2′-bipyridine and varied carboxylic acid ligands
Authors of publication	Ridenour, J. August; Cahill, Christopher L.
Journal of publication	New Journal of Chemistry
Year of publication	2018
Journal volume	42
Journal issue	3
Pages of publication	1816
a	10.521 ± 0.004 Å
b	10.766 ± 0.005 Å
c	11.35 ± 0.004 Å
α	95.865 ± 0.005°
β	105.083 ± 0.004°
γ	116.297 ± 0.003°
Cell volume	1077.2 ± 0.8 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	0.0325
Residual factor for significantly intense reflections	0.0257
Weighted residual factors for significantly intense reflections	0.0557
Weighted residual factors for all reflections included in the refinement	0.0577
Goodness-of-fit parameter for all reflections included in the refinement	1.038
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
230561 (current)	2019-11-17	cif/ Updating files of 7056854, 7056855, 7056856, 7056857, 7056858, 7056859, 7056860, 7056861 Original log message: Adding full bibliography for 7056854--7056861.cif.	7056860.cif
204565	2017-12-28	cif/ Adding structures of 7056854, 7056855, 7056856, 7056857, 7056858, 7056859, 7056860, 7056861 via cif-deposit CGI script.	7056860.cif