Crystallography Open Database

Information card for entry 4081053

Preview

Coordinates	4081053.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C198 H234 N2 O6 Si6 U2
Calculated formula	C198 H234 N2 O6 Si6 U2
Title of publication	Thermally Stable Uranium Dinitrogen Complex with Siloxide Supporting Ligands
Authors of publication	Mansell, Stephen M.; Farnaby, Joy H.; Germeroth, Anne I.; Arnold, Polly L.
Journal of publication	Organometallics
Year of publication	2013
Journal volume	32
Journal issue	15
Pages of publication	4214
a	38.9299 ± 0.0014 Å
b	18.1633 ± 0.0003 Å
c	29.0426 ± 0.0009 Å
α	90°
β	120.871 ± 0.005°
γ	90°
Cell volume	17626.5 ± 1.3 Å³
Cell temperature	170 ± 2 K
Ambient diffraction temperature	170 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0789
Residual factor for significantly intense reflections	0.0424
Weighted residual factors for significantly intense reflections	0.1051
Weighted residual factors for all reflections included in the refinement	0.1125
Goodness-of-fit parameter for all reflections included in the refinement	0.966
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
178699 (current)	2016-03-21	cif/4/08/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/08/10.	4081053.cif
87981	2013-08-27	cif/ Adding structures of 4081052, 4081053, 4081054, 4081055, 4081056, 4081057 via cif-deposit CGI script.	4081053.cif