Crystallography Open Database

Information card for entry 4341493

Preview

Coordinates	4341493.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H78 K N3 O6 Se Si6 U
Calculated formula	C30 H78 K N3 O6 Se Si6 U
SMILES	C[Si](C)(C)N([Si](C)(C)C)[U](N([Si](C)(C)C)[Si](C)(C)C)(N([Si](C)(C)C)[Si](C)(C)C)=[Se].[K]12345[O]6CC[O]1CC[O]2CC[O]3CC[O]4CC[O]5CC6
Title of publication	Synthesis of terminal monochalcogenide and dichalcogenide complexes of uranium using polychalcogenides, [en](2-) (e = te, N = 2; e = se, N = 4), as chalcogen atom transfer reagents.
Authors of publication	Smiles, Danil E.; Wu, Guang; Hayton, Trevor W.
Journal of publication	Inorganic chemistry
Year of publication	2014
Journal volume	53
Journal issue	19
Pages of publication	10240 - 10247
a	12.8177 ± 0.0017 Å
b	18.78 ± 0.003 Å
c	21.833 ± 0.003 Å
α	91.64 ± 0.002°
β	106.308 ± 0.002°
γ	92.187 ± 0.002°
Cell volume	5036.2 ± 1.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	8
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0898
Residual factor for significantly intense reflections	0.0748
Weighted residual factors for significantly intense reflections	0.1894
Weighted residual factors for all reflections included in the refinement	0.1933
Goodness-of-fit parameter for all reflections included in the refinement	1.561
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
179517 (current)	2016-03-23	cif/4/34/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/34/14.	4341493.cif
169888	2015-10-30	cif/4 Fixing Z values and formulae	4341493.cif
126694	2014-11-10	cif/ Adding structures of 4341488, 4341489, 4341490, 4341491, 4341492, 4341493 via cif-deposit CGI script.	4341493.cif