Crystallography Open Database

Information card for entry 1515593

Preview

Coordinates	1515593.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C134 H192 N10 O6 S0.02 Se0.98 U2
Calculated formula	C134 H192 N10 O6 S0.024 Se0.976 U2
Title of publication	Activation of elemental S, Se and Te with uranium(iii): bridging U‒E‒U (E = S, Se) and diamond-core complexes U‒(E)2‒U (E = O, S, Se, Te)
Authors of publication	Lam, Oanh P.; Heinemann, Frank W.; Meyer, Karsten
Journal of publication	Chemical Science
Year of publication	2011
Journal volume	2
Journal issue	8
Pages of publication	1538
a	14.8605 ± 0.0019 Å
b	15.046 ± 0.002 Å
c	17.8037 ± 0.0016 Å
α	70.931 ± 0.009°
β	81.732 ± 0.011°
γ	60.483 ± 0.01°
Cell volume	3273.3 ± 0.8 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0495
Residual factor for significantly intense reflections	0.0387
Weighted residual factors for significantly intense reflections	0.092
Weighted residual factors for all reflections included in the refinement	0.0969
Goodness-of-fit parameter for all reflections included in the refinement	1.101
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.	1515593.cif
111876	2014-04-28	cif/ Adding structures of 1515592, 1515593, 1515594, 1515595, 1515596, 1515597, 1515598, 1515599 via cif-deposit CGI script.	1515593.cif