Crystallography Open Database

Information card for entry 4341492

Preview

Coordinates	4341492.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H78 K N3 O6 Se2 Si6 U
Calculated formula	C30 H78 K N3 O6 Se2 Si6 U
SMILES	C[Si](C)(C)N([Si](C)(C)C)[U]1(N([Si](C)(C)C)[Si](C)(C)C)(N([Si](C)(C)C)[Si](C)(C)C)[Se][Se]1.[K]12345[O]6CC[O]2CC[O]1CC[O]3CC[O]5CC[O]4CC6
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	13.2894 ± 0.0006 Å
b	17.7878 ± 0.0008 Å
c	22.4872 ± 0.0008 Å
α	90°
β	105.602 ± 0.002°
γ	90°
Cell volume	5119.9 ± 0.4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	8
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.05
Residual factor for significantly intense reflections	0.0408
Weighted residual factors for significantly intense reflections	0.0916
Weighted residual factors for all reflections included in the refinement	0.0961
Goodness-of-fit parameter for all reflections included in the refinement	0.998
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.	4341492.cif
126694	2014-11-10	cif/ Adding structures of 4341488, 4341489, 4341490, 4341491, 4341492, 4341493 via cif-deposit CGI script.	4341492.cif