Crystallography Open Database

Information card for entry 4346368

Preview

Coordinates	4346368.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H54 I P3 Se6 U
Calculated formula	C24 H54 I P3 Se6 U
SMILES	[U]123(I)([Se]=P(C(C)(C)C)([Se]1)C(C)(C)C)([Se]=P([Se]2)(C(C)(C)C)C(C)(C)C)[Se]=P([Se]3)(C(C)(C)C)C(C)(C)C
Title of publication	Dithio- and Diselenophosphinate Thorium(IV) and Uranium(IV) Complexes: Molecular and Electronic Structures, Spectroscopy, and Transmetalation Reactivity.
Authors of publication	Behrle, Andrew C.; Kerridge, Andrew; Walensky, Justin R.
Journal of publication	Inorganic chemistry
Year of publication	2015
Journal volume	54
Journal issue	24
Pages of publication	11625 - 11636
a	22.001 ± 0.002 Å
b	15.2676 ± 0.0017 Å
c	27.462 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	9224.6 ± 1.7 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.0281
Residual factor for significantly intense reflections	0.0241
Weighted residual factors for significantly intense reflections	0.0551
Weighted residual factors for all reflections included in the refinement	0.056
Goodness-of-fit parameter for all reflections included in the refinement	1.053
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
251896 (current)	2020-05-08	cif/4 Fixing Z values and formulae	4346368.cif
231747	2019-11-23	cif/ Adding structures of 4346367, 4346368, 4346369 via cif-deposit CGI script.	4346368.cif