Crystallography Open Database

Information card for entry 4103655

Preview

Coordinates	4103655.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C31 H40 N2 Yb
Calculated formula	C31 H40 N2 Yb
Title of publication	Intermediate-Valence Tautomerism in Decamethylytterbocene Complexes of Methyl-Substituted Bipyridines
Authors of publication	Corwin H. Booth; Daniel Kazhdan; Evan L. Werkema; Marc D. Walter; Wayne W. Lukens; Eric D. Bauer; Yung-Jin Hu; Laurent Maron; Odile Eisenstein; Martin Head-Gordon; Richard A. Andersen
Journal of publication	Journal of the American Chemical Society
Year of publication	2010
Journal volume	132
Pages of publication	17537 - 17549
a	15.924 ± 0.002 Å
b	16.524 ± 0.003 Å
c	20.318 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	5346.2 ± 1.4 Å³
Cell temperature	125.2 K
Ambient diffraction temperature	125.2 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	0.0883
Residual factor for significantly intense reflections	0.037
Weighted residual factors for all reflections	0.0488
Weighted residual factors for all reflections included in the refinement	0.0395
Goodness-of-fit parameter for all reflections included in the refinement	1.461
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4103655.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4103655.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4103655.cif
26688	2011-09-24	../uploads/cif-deposit/cod/cif Adding structures of 4103655 via cif-deposit CGI script.	4103655.cif