Crystallography Open Database

Information card for entry 7054870

Preview

Coordinates	7054870.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H53 N3 Si6 Te U
Calculated formula	C18 H53 N3 Si6 Te U
SMILES	[U]1([Te]C[Si](N1[Si](C)(C)C)(C)C)(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C
Title of publication	Reactivity of [U(CH2SiMe2NSiMe3)(NR2)2] (R = SiMe3) with elemental chalcogens: towards a better understanding of chalcogen atom transfer in the actinides
Authors of publication	Smiles, Danil E.; Wu, Guang; Hayton, Trevor W.
Journal of publication	New J. Chem.
Year of publication	2015
Journal volume	39
Journal issue	10
Pages of publication	7563
a	8.3155 ± 0.0002 Å
b	11.8276 ± 0.0003 Å
c	17.5749 ± 0.0005 Å
α	88.157 ± 0.001°
β	89.051 ± 0.001°
γ	75.447 ± 0.001°
Cell volume	1672.15 ± 0.08 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0264
Residual factor for significantly intense reflections	0.0213
Weighted residual factors for significantly intense reflections	0.0464
Weighted residual factors for all reflections included in the refinement	0.0479
Goodness-of-fit parameter for all reflections included in the refinement	0.979
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
176428 (current)	2016-02-13	Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively.	7054870.cif
162087	2015-10-09	cif/ Updating files of 7054870, 7054871 Original log message: Adding full bibliography for 7054870--7054871.cif.	7054870.cif
137089	2015-05-21	cif/ Adding structures of 7054870, 7054871 via cif-deposit CGI script.	7054870.cif