Crystallography Open Database

Information card for entry 1513687

Preview

Coordinates	1513687.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C130 H164 N2 O8 Se4.11 U2
Calculated formula	C130 H164 N2 O8 Se4.11 U2
Title of publication	Reactivity of uranium(iv) bridged chalcogenido complexes UIV‒E‒UIV (E = S, Se) with elemental sulfur and selenium: synthesis of polychalcogenido-bridged uranium complexes
Authors of publication	Franke, Sebastian M.; Heinemann, Frank W.; Meyer, Karsten
Journal of publication	Chemical Science
Year of publication	2014
Journal volume	5
Journal issue	3
Pages of publication	942
a	18.092 ± 0.002 Å
b	12.365 ± 0.0006 Å
c	28.315 ± 0.003 Å
α	90 ± 0.007°
β	118.117 ± 0.012°
γ	90 ± 0.008°
Cell volume	5586.8 ± 1.1 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
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	0.0711
Residual factor for significantly intense reflections	0.0441
Weighted residual factors for significantly intense reflections	0.0754
Weighted residual factors for all reflections included in the refinement	0.0802
Goodness-of-fit parameter for all reflections included in the refinement	1.573
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
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	1513687.cif
105107	2014-03-11	cif/ Adding structures of 1513685, 1513686, 1513687, 1513688 via cif-deposit CGI script.	1513687.cif