Crystallography Open Database

Information card for entry 7228540

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Coordinates	7228540.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Uranium(IV) hexachloride
Chemical name	[PPh4][UCl6]
Formula	C24 H20 Cl6 P U
Calculated formula	C24 H20 Cl6 P U
SMILES	c1(ccccc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[U](Cl)(Cl)(Cl)(Cl)(Cl)[Cl-]
Title of publication	Magnetic circular dichroism of UCl6− in the ligand-to-metal charge-transfer spectral region
Authors of publication	Gendron, Frédéric; Fleischauer, Valerie E.; Duignan, Thomas J.; Scott, Brian L.; Löble, Matthias W.; Cary, Samantha K.; Kozimor, Stosh A.; Bolvin, Hélène; Neidig, Michael L.; Autschbach, Jochen
Journal of publication	Phys. Chem. Chem. Phys.
Year of publication	2017
a	22.6559 ± 0.0016 Å
b	6.7274 ± 0.0005 Å
c	17.4505 ± 0.0012 Å
α	90°
β	97.218 ± 0.0007°
γ	90°
Cell volume	2638.6 ± 0.3 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0148
Residual factor for significantly intense reflections	0.0123
Weighted residual factors for significantly intense reflections	0.028
Weighted residual factors for all reflections included in the refinement	0.0288
Goodness-of-fit parameter for all reflections included in the refinement	1.058
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
198133 (current)	2017-06-24	cif/ Adding structures of 7228540 via cif-deposit CGI script.	7228540.cif