Crystallography Open Database

Information card for entry 4081573

Preview

Coordinates	4081573.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C53 H74 Cl3.6 I0.4 N2 Yb2
Calculated formula	C53 H74 Cl3.605 I0.395 N2 Yb2
Title of publication	Influence of the Torsion Angle in 3,3′-Dimethyl-2,2′-bipyridine on the Intermediate Valence of Yb in (C5Me5)2Yb(3,3′-Me2-bipy)
Authors of publication	Nocton, Grégory; Booth, Corwin H.; Maron, Laurent; Andersen, Richard A.
Journal of publication	Organometallics
Year of publication	2013
Journal volume	32
Journal issue	19
Pages of publication	5305
a	9.4957 ± 0.0014 Å
b	17.024 ± 0.002 Å
c	17.198 ± 0.003 Å
α	72.94 ± 0.002°
β	76.451 ± 0.002°
γ	87.439 ± 0.002°
Cell volume	2583 ± 0.7 Å³
Cell temperature	110 ± 2 K
Ambient diffraction temperature	110 ± 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	0.0328
Residual factor for significantly intense reflections	0.028
Weighted residual factors for significantly intense reflections	0.0684
Weighted residual factors for all reflections included in the refinement	0.0706
Goodness-of-fit parameter for all reflections included in the refinement	1.047
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
178704 (current)	2016-03-21	cif/4/08/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/08/15.	4081573.cif
89761	2013-11-10	cif/ Adding structures of 4081572, 4081573 via cif-deposit CGI script.	4081573.cif