Crystallography Open Database

Information card for entry 4117972

Preview

Coordinates	4117972.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H39 Er Si3
Calculated formula	C24 H39 Er Si3
Title of publication	Expanding Rare-Earth Oxidation State Chemistry to Molecular Complexes of Holmium(II) and Erbium(II)
Authors of publication	Matthew R. MacDonald; Jefferson E. Bates; Megan E. Fieser; Joseph W. Ziller; Filipp Furche; William J. Evans
Journal of publication	Journal of the American Chemical Society
Year of publication	2012
Journal volume	134
Pages of publication	8420 - 8423
a	8.1874 ± 0.0004 Å
b	22.3083 ± 0.0012 Å
c	28.5628 ± 0.0015 Å
α	90°
β	90°
γ	90°
Cell volume	5216.9 ± 0.5 Å³
Cell temperature	88 ± 2 K
Ambient diffraction temperature	88 ± 2 K
Number of distinct elements	4
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0309
Residual factor for significantly intense reflections	0.0231
Weighted residual factors for significantly intense reflections	0.047
Weighted residual factors for all reflections included in the refinement	0.0494
Goodness-of-fit parameter for all reflections included in the refinement	1.092
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
178950 (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 4/11/79.	4117972.cif
75115	2013-03-07	cif/ Adding structures of 4117972 via cif-deposit CGI script.	4117972.cif