Crystallography Open Database

Information card for entry 1572160

Preview

Coordinates	1572160.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H64 N4 S4 U
Calculated formula	C32 H64 N4 S4 U
SMILES	[U]1234(SC(=[N]4C(C)(C)C)C(C)C)(SC(=[N]3C(C)(C)C)C(C)C)(SC(=[N]1C(C)(C)C)C(C)C)SC(=[N]2C(C)(C)C)C(C)C
Title of publication	Formation of uranium disulfide from a uranium thioamidate single-source precursor.
Authors of publication	Kelly, Sheridon N.; Russo, Dominic R.; Ouellette, Erik T.; Roy, Debashree; Swift, Andrew J.; Boreen, Michael A.; Smith, Patrick W.; Moreau, Liane M.; Arnold, John; Minasian, Stefan G.
Journal of publication	Chemical science
Year of publication	2024
Journal volume	15
Journal issue	33
Pages of publication	13325 - 13332
a	21.6654 ± 0.0002 Å
b	11.6105 ± 0.0001 Å
c	15.6201 ± 0.0001 Å
α	90°
β	96.284 ± 0.001°
γ	90°
Cell volume	3905.57 ± 0.06 Å³
Cell temperature	100 ± 0.11 K
Ambient diffraction temperature	100.15 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0252
Residual factor for significantly intense reflections	0.0227
Weighted residual factors for significantly intense reflections	0.0586
Weighted residual factors for all reflections included in the refinement	0.0599
Goodness-of-fit parameter for all reflections included in the refinement	1.103
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
294472 (current)	2024-09-06	cif/ Updating files of 1572160 Original log message: Adding full bibliography for 1572160.cif.	1572160.cif
293531	2024-07-25	cif/ Adding structures of 1572160 via cif-deposit CGI script.	1572160.cif