Crystallography Open Database

Information card for entry 1513612

Preview

Coordinates	1513612.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C35.25 H51 N6 S2 Si3 U
Calculated formula	C35.25 H51 N6 S2 Si3 U
Title of publication	Two-electron versus one-electron reduction of chalcogens by uranium(iii): synthesis of a terminal U(v) persulfide complex
Authors of publication	Camp, Clément; Antunes, Maria Augusta; García, Gregorio; Ciofini, Ilaria; Santos, Isabel C.; Pécaut, Jacques; Almeida, Manuel; Marçalo, Joaquim; Mazzanti, Marinella
Journal of publication	Chemical Science
Year of publication	2014
Journal volume	5
Journal issue	2
Pages of publication	841
a	22.725 ± 0.004 Å
b	19.812 ± 0.0007 Å
c	30.101 ± 0.005 Å
α	90°
β	145.19 ± 0.04°
γ	90°
Cell volume	7736 ± 8 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.1129
Residual factor for significantly intense reflections	0.0728
Weighted residual factors for significantly intense reflections	0.1718
Weighted residual factors for all reflections included in the refinement	0.1945
Goodness-of-fit parameter for all reflections included in the refinement	1.075
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1513612.cif
105086	2014-03-11	cif/ Adding structures of 1513610, 1513611, 1513612, 1513613, 1513614 via cif-deposit CGI script.	1513612.cif