Crystallography Open Database

Information card for entry 4110196

Preview

Coordinates	4110196.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C98 H105.5 F3 K N12.5 O16 S Yb2
Calculated formula	C98 H103.5 F3 K N12.5 O16 S Yb2
Title of publication	Highly Efficient Near-IR Emitting Yb/Yb and Yb/Al Helicates
Authors of publication	Markus Albrecht; Olga Osetska; Roland Fröhlich; Jean-Claude G. Bünzli; Annina Aebischer; Frédéric Gumy; Josef Hamacek
Journal of publication	Journal of the American Chemical Society
Year of publication	2007
Journal volume	129
Pages of publication	14178 - 14179
a	15.831 ± 0.001 Å
b	24.262 ± 0.001 Å
c	26.818 ± 0.002 Å
α	90°
β	91.52 ± 0.01°
γ	90°
Cell volume	10296.9 ± 1.1 Å³
Cell temperature	198 ± 2 K
Ambient diffraction temperature	198 ± 2 K
Number of distinct elements	8
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	0.2868
Residual factor for significantly intense reflections	0.1398
Weighted residual factors for significantly intense reflections	0.3086
Weighted residual factors for all reflections included in the refinement	0.3867
Goodness-of-fit parameter for all reflections included in the refinement	1.056
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
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.	4110196.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4110196.cif
59221	2012-06-05	cif/4/ Setting up the svn:keywords property on the recently moved CIFs, so that the file checked out under English locales do not contain high-bit-set characters.	4110196.cif
59116	2012-06-03	smi/7 Adding SMILES for metal carbonyls. cif/4 Moving files wrongly appearing as 4/4xxyyzz.cif as 4/xx/yy/4xxyyzz.cif	4110196.cif