Crystallography Open Database

Information card for entry 4120287

4120286 << 4120287 >> 4120288

Preview

Coordinates	4120287.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C86 H178 K2 N2 O24 Si6 U2
Calculated formula	C86 H178 K2 N2 O24 Si6 U2
Title of publication	Tuning Uranium-Nitrogen Multiple Bond Formation with Ancillary Siloxide Ligands
Authors of publication	Clément Camp; Jacques Pécaut; Marinella Mazzanti
Journal of publication	Journal of the American Chemical Society
Year of publication	2013
Journal volume	135
Pages of publication	12101 - 12111
a	13.3139 ± 0.0004 Å
b	13.6374 ± 0.0004 Å
c	18.3661 ± 0.0007 Å
α	90.824 ± 0.003°
β	106.789 ± 0.003°
γ	115.962 ± 0.003°
Cell volume	2831.68 ± 0.19 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0977
Residual factor for significantly intense reflections	0.0739
Weighted residual factors for significantly intense reflections	0.1549
Weighted residual factors for all reflections included in the refinement	0.1679
Goodness-of-fit parameter for all reflections included in the refinement	1.137
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
178979 (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 4/12/02.	4120287.cif
105947	2014-03-14	cif/ Adding structures of 4120287 via cif-deposit CGI script.	4120287.cif