Crystallography Open Database

Information card for entry 4101344

Preview

Coordinates	4101344.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H28 Cl2 F6 N2 O8 S2 U
Calculated formula	C23 H28 Cl2 F6 N2 O8 S2 U
Title of publication	Synthesis and reactivity of the imido analogues of the uranyl ion.
Authors of publication	Hayton, Trevor W; Boncella, James M; Scott, Brian L; Batista, Enrique R; Hay, P Jeffrey
Journal of publication	Journal of the American Chemical Society
Year of publication	2006
Journal volume	128
Journal issue	32
Pages of publication	10549 - 10559
a	13.224 ± 0.002 Å
b	16.179 ± 0.003 Å
c	15.338 ± 0.003 Å
α	90°
β	98.158 ± 0.003°
γ	90°
Cell volume	3248.2 ± 1 Å³
Cell temperature	203 ± 2 K
Ambient diffraction temperature	203 ± 2 K
Number of distinct elements	8
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0611
Residual factor for significantly intense reflections	0.0309
Weighted residual factors for significantly intense reflections	0.0541
Weighted residual factors for all reflections included in the refinement	0.0604
Goodness-of-fit parameter for all reflections included in the refinement	1.096
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
178759 (current)	2016-03-21	cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/13.	4101344.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4101344.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4101344.cif
966	2010-01-30	cif/ Adding _cod_database_code tags to all COD entries. Adding tag description to the cif_cod.dic dictionary so that COD entries can be validated.	4101344.cif
396	2008-06-20	Adding new CIF files from J-Am-Chem-Soc-2006/.	4101344.cif