Crystallography Open Database

Information card for entry 7708505

Preview

Coordinates	7708505.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	uranyldichloride bis(triphenylphosphine oxide)
Chemical name	uraniumdioxodicholoro bis(triphenylphosphine oxide)
Formula	C36 H30 Cl2 O4 P2 U
Calculated formula	C36 H30 Cl2 O4 P2 U
SMILES	[U](Cl)(Cl)([O]=P(c1ccccc1)(c1ccccc1)c1ccccc1)([O]=P(c1ccccc1)(c1ccccc1)c1ccccc1)(=O)=O
Title of publication	Synthesis, characterization, and theoretical analysis of a plutonyl phosphine oxide complex
Authors of publication	Windorff, Cory James; Beltrán Leiva, María Joaquina; Albrecht-Schmitt, Thomas E.; Bai, Zhuanling; Celis-Barros, Cristian; Goodwin, Conrad Alexander Phillip; Huffman, Zachary; McKinnon, Noah C.; Sperling, Joseph M.
Journal of publication	Dalton Transactions
Year of publication	2021
a	10.0387 ± 0.0006 Å
b	18.654 ± 0.0011 Å
c	10.7043 ± 0.0006 Å
α	90°
β	117.802 ± 0.002°
γ	90°
Cell volume	1773.12 ± 0.18 Å³
Cell temperature	170 ± 2 K
Ambient diffraction temperature	170 ± 2 K
Number of distinct elements	6
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0317
Residual factor for significantly intense reflections	0.0278
Weighted residual factors for significantly intense reflections	0.0635
Weighted residual factors for all reflections included in the refinement	0.0651
Goodness-of-fit parameter for all reflections included in the refinement	1.033
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
269445 (current)	2021-10-02	cif/ Adding structures of 7708502, 7708503, 7708504, 7708505 via cif-deposit CGI script.	7708505.cif