Crystallography Open Database

Information card for entry 4120701

4120700 << 4120701 >> 4120702

Preview

Coordinates	4120701.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C78 H110 K2 O16
Calculated formula	C78 H82 K2 O16
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	12.4741 ± 0.0004 Å
b	12.5528 ± 0.0004 Å
c	12.8731 ± 0.0004 Å
α	87.589 ± 0.002°
β	67.196 ± 0.002°
γ	86.878 ± 0.002°
Cell volume	1854.94 ± 0.11 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1144
Residual factor for significantly intense reflections	0.0794
Weighted residual factors for significantly intense reflections	0.1664
Weighted residual factors for all reflections included in the refinement	0.1691
Goodness-of-fit parameter for all reflections included in the refinement	3.496
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
178984 (current)	2016-03-22	cif/4/12/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/12/07.	4120701.cif
106680	2014-03-15	cif/ Adding structures of 4120697, 4120698, 4120699, 4120700, 4120701, 4120702 via cif-deposit CGI script.	4120701.cif