Crystallography Open Database

Information card for entry 4120698

4120697 << 4120698 >> 4120699

Preview

Coordinates	4120698.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H95 K N5 O6.5 S Si6 U
Calculated formula	C38 H54 K N5 O6.5 S Si6 U
Title of publication	Synthesis of uranium-ligand multiple bonds by cleavage of a trityl protecting group.
Authors of publication	Smiles, Danil E.; Wu, Guang; Hayton, Trevor W.
Journal of publication	Journal of the American Chemical Society
Year of publication	2014
Journal volume	136
Journal issue	1
Pages of publication	96 - 99
a	11.2243 ± 0.0003 Å
b	16.4779 ± 0.0004 Å
c	32.1639 ± 0.0008 Å
α	90°
β	91.774 ± 0.002°
γ	90°
Cell volume	5946 ± 0.3 Å³
Cell temperature	104 ± 2 K
Ambient diffraction temperature	104 ± 2 K
Number of distinct elements	8
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	0.0692
Residual factor for significantly intense reflections	0.0512
Weighted residual factors for significantly intense reflections	0.1473
Weighted residual factors for all reflections included in the refinement	0.1593
Goodness-of-fit parameter for all reflections included in the refinement	1.148
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4120698.cif
106680	2014-03-15	cif/ Adding structures of 4120697, 4120698, 4120699, 4120700, 4120701, 4120702 via cif-deposit CGI script.	4120698.cif