Crystallography Open Database

Information card for entry 4345174

Preview

Coordinates	4345174.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	tetraphenyl phosphonium uranium hexafluoride
Formula	C24 H20 F6 P U
Calculated formula	C24 H20 F6 P U
SMILES	c1(ccccc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[F-][U](F)(F)(F)(F)F
Title of publication	Bonding in Uranium(V) Hexafluoride Based on the Experimental Electron Density Distribution Measured at 20 K.
Authors of publication	Gianopoulos, Christopher G.; Zhurov, Vladimir V.; Minasian, Stefan G.; Batista, Enrique R.; Jelsch, Christian; Pinkerton, A. Alan
Journal of publication	Inorganic chemistry
Year of publication	2017
Journal volume	56
Journal issue	4
Pages of publication	1775 - 1778
a	12.2518 ± 0.0001 Å
b	12.2518 ± 0.0001 Å
c	7.2893 ± 0.0002 Å
α	90°
β	90°
γ	90°
Cell volume	1094.17 ± 0.03 Å³
Cell temperature	20 ± 0.1 K
Ambient diffraction temperature	20 ± 0.1 K
Number of distinct elements	5
Space group number	82
Hermann-Mauguin space group symbol	I -4
Hall space group symbol	I -4
Residual factor for all reflections	0.0066
Residual factor for significantly intense reflections	0.0066
Weighted residual factors for significantly intense reflections	0.0096
Weighted residual factors for all reflections included in the refinement	0.0096
Goodness-of-fit parameter for all reflections included in the refinement	1.038
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
193433 (current)	2017-03-04	cif/ Updating files of 4345174 Original log message: Adding full bibliography for 4345174.cif.	4345174.cif
191835	2017-02-07	cif/ Adding structures of 4345174 via cif-deposit CGI script.	4345174.cif