Crystallography Open Database

Information card for entry 4341674

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Structure parameters

Formula	C67 H52 F3 O9 S Si2 U
Calculated formula	C67 H52 F3 O9 S Si2 U
SMILES	[U]12(O[Si](c3ccccc3)(c3ccccc3)c3ccccc3)(O[Si](c3ccccc3)(c3ccccc3)c3ccccc3)([O]=C(C=C(O2)c2ccccc2)c2ccccc2)([O]=C(C=C(O1)c1ccccc1)c1ccccc1)OS(=O)(=O)C(F)(F)F
Title of publication	Reductive Silylation of the Uranyl Ion with Ph3SiOTf
Authors of publication	Pedrick, Elizabeth A.; Wu, Guang; Hayton, Trevor W.
Journal of publication	Inorganic Chemistry
Year of publication	2014
Pages of publication	141111154001001
a	12.507 ± 0.002 Å
b	19.719 ± 0.003 Å
c	23.422 ± 0.004 Å
α	90°
β	89.692 ± 0.003°
γ	90°
Cell volume	5776.4 ± 1.6 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0627
Residual factor for significantly intense reflections	0.0348
Weighted residual factors for significantly intense reflections	0.0479
Weighted residual factors for all reflections included in the refinement	0.052
Goodness-of-fit parameter for all reflections included in the refinement	1.118
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
301840 (current)	2025-08-21	Add cross-references to PubChem compounds in COD range 4/34/ Each referenced PubChem compound corresponds to the full crystal structure.	4341674.cif
179519	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 4/34/16.	4341674.cif
127403	2014-11-16	cif/ Adding structures of 4341674, 4341675 via cif-deposit CGI script.	4341674.cif