Crystallography Open Database

Information card for entry 4328178

Preview

Coordinates	4328178.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H54 I N3 Si6 U
Calculated formula	C18 H54 I N3 Si6 U
SMILES	C[Si](N([U](I)(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)(C)C
Title of publication	Synthesis, Molecular and Electronic Structure of UV(O)[N(SiMe3)2]3
Authors of publication	Skye Fortier; Jessie L. Brown; Nikolas Kaltsoyannis; Guang Wu; Trevor W. Hayton
Journal of publication	Inorganic Chemistry
Year of publication	2012
Journal volume	51
Pages of publication	1625 - 1633
a	18.2954 ± 0.0005 Å
b	18.2954 ± 0.0005 Å
c	17.2795 ± 0.001 Å
α	90°
β	90°
γ	120°
Cell volume	5008.9 ± 0.3 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
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	0.0339
Residual factor for significantly intense reflections	0.0281
Weighted residual factors for significantly intense reflections	0.0803
Weighted residual factors for all reflections included in the refinement	0.0839
Goodness-of-fit parameter for all reflections included in the refinement	1.079
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
179384 (current)	2016-03-23	cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/81.	4328178.cif
77128	2013-03-24	cif/ Adding structures of 4328178 via cif-deposit CGI script.	4328178.cif