Crystallography Open Database

Information card for entry 4080189

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Structure parameters

Formula	C40 H118 N6 O S Si12 U2
Calculated formula	C40 H118 N6 O S Si12 U2
SMILES	[U](S[U](N([Si](C)(C)C)[Si](C)(C)C)(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)(N([Si](C)(C)C)[Si](C)(C)C)(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C.O(CC)CC
Title of publication	Chalcogen Atom Transfer to Uranium(III): Synthesis and Characterization of [(R2N)3U]2(μ-E) and [(R2N)3U]2(μ-η2:η2-S2) (R = SiMe3; E = S, Se, Te)
Authors of publication	Brown, Jessie L.; Wu, Guang; Hayton, Trevor W.
Journal of publication	Organometallics
Year of publication	2013
Journal volume	32
Journal issue	5
Pages of publication	1193
a	11.5726 ± 0.001 Å
b	21.379 ± 0.002 Å
c	28.376 ± 0.003 Å
α	90°
β	90.026 ± 0.006°
γ	90°
Cell volume	7020.5 ± 1.2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0939
Residual factor for significantly intense reflections	0.0907
Weighted residual factors for significantly intense reflections	0.2119
Weighted residual factors for all reflections included in the refinement	0.2133
Goodness-of-fit parameter for all reflections included in the refinement	1.214
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
301831 (current)	2025-08-20	Add cross-references to PubChem compounds in COD range 4/08/ Each referenced PubChem compound corresponds to the full crystal structure.	4080189.cif
178690	2016-03-21	cif/4/08/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/08/01.	4080189.cif
85872	2013-05-07	cif/ Adding structures of 4080189, 4080190, 4080191, 4080192 via cif-deposit CGI script.	4080189.cif