Crystallography Open Database

Information card for entry 4341675

Preview

Coordinates	4341675.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C99 H102 F3 N2 O8 S Si2 U
Calculated formula	C99 H102 F3 N2 O8 S Si2 U
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	13.2871 ± 0.0002 Å
b	14.1711 ± 0.0003 Å
c	15.2003 ± 0.0003 Å
α	63.915 ± 0.001°
β	73.8 ± 0.001°
γ	69.232 ± 0.001°
Cell volume	2377.6 ± 0.08 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	0.032
Residual factor for significantly intense reflections	0.0315
Weighted residual factors for significantly intense reflections	0.091
Weighted residual factors for all reflections included in the refinement	0.0914
Goodness-of-fit parameter for all reflections included in the refinement	1.081
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
179519 (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 4/34/16.	4341675.cif
127403	2014-11-16	cif/ Adding structures of 4341674, 4341675 via cif-deposit CGI script.	4341675.cif