Crystallography Open Database

Information card for entry 4119170

4119169 << 4119170 >> 4119171

Preview

Coordinates	4119170.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H54 Br N3 O Si6 U
Calculated formula	C18 H54 Br1.1 N3 O0.9 Si6 U
Title of publication	Reductive Cleavage of Nitrite to Form Terminal Uranium Mono-Oxo Complexes
Authors of publication	Andrew J. Lewis; Patrick J. Carroll; Eric J. Schelter
Journal of publication	Journal of the American Chemical Society
Year of publication	2013
Journal volume	135
Pages of publication	511 - 518
a	18.5005 ± 0.0009 Å
b	18.5005 ± 0.0009 Å
c	16.9729 ± 0.0007 Å
α	90°
β	90°
γ	120°
Cell volume	5031 ± 0.4 Å³
Cell temperature	143 ± 1 K
Ambient diffraction temperature	143 ± 1 K
Number of distinct elements	7
Space group number	161
Hermann-Mauguin space group symbol	R 3 c :H
Hall space group symbol	R 3 -2"c
Residual factor for all reflections	0.027
Residual factor for significantly intense reflections	0.0245
Weighted residual factors for significantly intense reflections	0.0589
Weighted residual factors for all reflections included in the refinement	0.0606
Goodness-of-fit parameter for all reflections included in the refinement	1.186
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
178962 (current)	2016-03-22	cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/91.	4119170.cif
103240	2014-02-27	cif/ Adding structures of 4119170 via cif-deposit CGI script.	4119170.cif