Crystallography Open Database

Information card for entry 4346365

Preview

Coordinates	4346365.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H56 P4 Se8 Th
Calculated formula	C24 H56 P4 Se8 Th
SMILES	[Th]1234([Se]=P([Se]1)(C(C)C)C(C)C)([Se]=P([Se]2)(C(C)C)C(C)C)([Se]=P([Se]3)(C(C)C)C(C)C)[Se]=P([Se]4)(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	16.854 ± 0.003 Å
b	13.348 ± 0.003 Å
c	18.538 ± 0.004 Å
α	90°
β	96.522 ± 0.002°
γ	90°
Cell volume	4143.5 ± 1.5 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.0234
Residual factor for significantly intense reflections	0.0209
Weighted residual factors for significantly intense reflections	0.0434
Weighted residual factors for all reflections included in the refinement	0.0441
Goodness-of-fit parameter for all reflections included in the refinement	1.034
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
231746 (current)	2019-11-23	cif/ Adding structures of 4346363, 4346364, 4346365, 4346366 via cif-deposit CGI script.	4346365.cif