Crystallography Open Database

Information card for entry 1558297

Preview

Coordinates	1558297.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Compound 6.solvent
Chemical name	[{(py)U(Cl)2U(O2C6H4)(py)}(LA)]
Formula	C74 H62 Cl2 N10 O2 U2
Calculated formula	C74 H62 Cl2 N10 O2 U2
Title of publication	Selective Oxo Ligand Functionalisation and Substitution Reactivity in an Oxo/Catecholate-Bridged UIV/UIV Pacman Complex
Authors of publication	Cowie, Bradley E.; Douair, Iskander; Laurent, Maron; Love, Jason; Arnold, Polly Louise
Journal of publication	Chemical Science
Year of publication	2020
a	14.0058 ± 0.0003 Å
b	21.7361 ± 0.0005 Å
c	14.7736 ± 0.0003 Å
α	90°
β	105.395 ± 0.002°
γ	90°
Cell volume	4336.17 ± 0.17 Å³
Cell temperature	120 ± 0.1 K
Ambient diffraction temperature	120 ± 0.1 K
Number of distinct elements	6
Space group number	11
Hermann-Mauguin space group symbol	P 1 21/m 1
Hall space group symbol	-P 2yb
Residual factor for all reflections	0.0632
Residual factor for significantly intense reflections	0.0382
Weighted residual factors for significantly intense reflections	0.0746
Weighted residual factors for all reflections included in the refinement	0.0814
Goodness-of-fit parameter for all reflections included in the refinement	1.022
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
253137 (current)	2020-06-13	cif/ Adding structures of 1558296, 1558297, 1558298, 1558299, 1558300, 1558301, 1558302, 1558303 via cif-deposit CGI script.	1558297.cif