Crystallography Open Database

Information card for entry 1565764

Preview

Coordinates	1565764.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H30 N4 O6 U
Calculated formula	C32 H30 N4 O6 U
SMILES	[U]12([n]3ccc(cc3)/C=C/c3ccncc3)([n]3ccc(cc3)/C=C/c3ccncc3)(=O)(=O)([O]=C(/C=C/C)O1)[O]=C(/C=C/C)O2
Title of publication	Highly conjugated systems with pedal motion in uranyl crotonate compounds with 1,2-bis(4-pyridyl)ethylene as a neutral ligand or a counter cation
Authors of publication	Savchenkov, Anton V.; Vologzhanina, Anna V.; Pushkin, Denis V.; Serezhkina, Larisa B.; Serezhkin, Viktor N.
Journal of publication	Inorganica Chimica Acta
Year of publication	2019
Journal volume	498
Pages of publication	119089
a	7.5075 ± 0.0012 Å
b	9.1655 ± 0.0014 Å
c	11.1631 ± 0.0017 Å
α	96.608 ± 0.003°
β	91.184 ± 0.003°
γ	99.148 ± 0.003°
Cell volume	752.7 ± 0.2 Å³
Cell temperature	120 K
Ambient diffraction temperature	120 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0361
Residual factor for significantly intense reflections	0.0358
Weighted residual factors for significantly intense reflections	0.0796
Weighted residual factors for all reflections included in the refinement	0.0799
Goodness-of-fit parameter for all reflections included in the refinement	1.036
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
271440 (current)	2021-12-15	cif/ Adding structures of 1565764, 1565765, 1565766 via cif-deposit CGI script.	1565764.cif