Crystallography Open Database

Information card for entry 4081572

Preview

Coordinates	4081572.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H42 N2 Yb
Calculated formula	C32 H42 N2 Yb
SMILES	[c]12([c]3([c]4([c]5([c]1(C)[Yb]167892345([c]2([c]1([c]6([c]7([c]82C)C)C)C)C)[n]1cccc(c1c1c(ccc[n]91)C)C)C)C)C)C
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	17.55 ± 0.005 Å
b	18.129 ± 0.005 Å
c	18.314 ± 0.005 Å
α	90 ± 0.005°
β	90 ± 0.005°
γ	90 ± 0.005°
Cell volume	5827 ± 3 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 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	0.0353
Residual factor for significantly intense reflections	0.0247
Weighted residual factors for all reflections included in the refinement	0.0574
Goodness-of-fit parameter for all reflections included in the refinement	1.078
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
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.	4081572.cif
89761	2013-11-10	cif/ Adding structures of 4081572, 4081573 via cif-deposit CGI script.	4081572.cif