Crystallography Open Database

Information card for entry 4114149

Preview

Coordinates	4114149.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	[Yb3(thf){Me3SiNCPhCHCPhNSiMe3}3]
Formula	C67 H95 N6 O Si6 Yb3
Calculated formula	C67 H95 N6 O Si6 Yb3
Title of publication	Mono-, Di-, and Trianionic β-Diketiminato Ligands: A Computational Study and the Synthesis and Structure of [(YbL)3(THF)], L = [{N(SiMe3)C(Ph)}2CH]
Authors of publication	Odile Eisenstein; Peter B. Hitchcock; Alexei V. Khvostov; Michael F. Lappert; Laurent Maron; Lionel Perrin; Andrey V. Protchenko
Journal of publication	Journal of the American Chemical Society
Year of publication	2003
Journal volume	125
Pages of publication	10790 - 10791
a	13.4823 ± 0.0004 Å
b	16.3546 ± 0.0005 Å
c	20.0818 ± 0.0006 Å
α	65.993 ± 0.002°
β	84.086 ± 0.002°
γ	86.355 ± 0.002°
Cell volume	4022.3 ± 0.2 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0546
Residual factor for significantly intense reflections	0.0388
Weighted residual factors for significantly intense reflections	0.1
Weighted residual factors for all reflections included in the refinement	0.1091
Goodness-of-fit parameter for all reflections included in the refinement	1.031
Diffraction radiation probe	x-ray
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
178912 (current)	2016-03-22	cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/41.	4114149.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4114149.cif
67431	2012-09-25	cif/ Adding structures of 4114149 via cif-deposit CGI script.	4114149.cif