Crystallography Open Database

Information card for entry 4110629

Preview

Coordinates	4110629.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C91 H102 B Cl6 N6 Yb2
Calculated formula	C89.25 H96 B Cl2.5 N6 Yb2
Title of publication	Ytterbocene Charge-Transfer Molecular Wire Complexes
Authors of publication	Christin N. Carlson; Christopher J. Kuehl; Ryan E. Da Re; Jacqueline M. Veauthier; Eric J. Schelter; Ashley E. Milligan; Brian L. Scott; Eric D. Bauer; J. D. Thompson; David E. Morris; Kevin D. John
Journal of publication	Journal of the American Chemical Society
Year of publication	2006
Journal volume	128
Pages of publication	7230 - 7241
a	35.218 ± 0.011 Å
b	14.702 ± 0.005 Å
c	37.941 ± 0.011 Å
α	90°
β	114.365 ± 0.005°
γ	90°
Cell volume	17895 ± 10 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0913
Residual factor for significantly intense reflections	0.0792
Weighted residual factors for significantly intense reflections	0.1808
Weighted residual factors for all reflections included in the refinement	0.1836
Goodness-of-fit parameter for all reflections included in the refinement	2.507
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
178877 (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 4/11/06.	4110629.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4110629.cif
59429	2012-06-06	cif/ Adding structures of 4110629 via cif-deposit CGI script.	4110629.cif