Crystallography Open Database

Information card for entry 4346366

Preview

Coordinates	4346366.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H72 P4 Se8 Th
Calculated formula	C32 H72 P4 Se8 Th
SMILES	C(C)(C)(P1(C(C)(C)C)=[Se][Th]234([Se]1)([Se]=P(C(C)(C)C)([Se]2)C(C)(C)C)([Se]=P(C(C)(C)C)(C(C)(C)C)[Se]3)[Se]=P(C(C)(C)C)(C(C)(C)C)[Se]4)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	18.3858 ± 0.0014 Å
b	18.3858 ± 0.0014 Å
c	16.2449 ± 0.0012 Å
α	90°
β	90°
γ	90°
Cell volume	5491.4 ± 0.7 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	118
Hermann-Mauguin space group symbol	P -4 n 2
Hall space group symbol	P -4 -2n
Residual factor for all reflections	0.0152
Residual factor for significantly intense reflections	0.0131
Weighted residual factors for significantly intense reflections	0.0297
Weighted residual factors for all reflections included in the refinement	0.03
Goodness-of-fit parameter for all reflections included in the refinement	0.996
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.	4346366.cif