Crystallography Open Database

Information card for entry 4103656

Preview

Coordinates	4103656.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H48 N2 Yb
Calculated formula	C38 H48 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	14.127 ± 0.001 Å
b	15.283 ± 0.001 Å
c	15.312 ± 0.001 Å
α	90°
β	92.18 ± 0.002°
γ	90°
Cell volume	3303.5 ± 0.4 Å³
Cell temperature	154.2 K
Ambient diffraction temperature	154.2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0637
Residual factor for significantly intense reflections	0.037
Weighted residual factors for all reflections	0.0497
Weighted residual factors for all reflections included in the refinement	0.0432
Goodness-of-fit parameter for all reflections included in the refinement	1.229
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.	4103656.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4103656.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4103656.cif
26689	2011-09-24	../uploads/cif-deposit/cod/cif Adding structures of 4103656 via cif-deposit CGI script.	4103656.cif