Crystallography Open Database

Information card for entry 4116559

Preview

Coordinates	4116559.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	{4,4',4"-[nitrilotris-[2,1-ethanediyl(N-methylcarboxamido)]]tris[2-(6-N,N diethylcarboxamidopyridine)]} Europium(III) tris(trifluoromethanesulfonate)- hexafluorophosphate hemi acetonitrile.
Formula	C46 H62.5 Eu F15 N10.5 O15 P S3
Calculated formula	C46 H61 Eu F15.001 N10.5 O15 P S3
Title of publication	Nine-Coordinate Lanthanide Podates with Predetermined Structural and Electronic Properties: Facial Organization of Unsymmetrical Tridentate Binding Units by a Protonated Covalent Tripod
Authors of publication	Fabien Renaud; Claude Piguet; Gérald Bernardinelli; Jean-Claude Bünzli; Gérard Hopfgartner
Journal of publication	Journal of the American Chemical Society
Year of publication	1999
Journal volume	121
Pages of publication	9326 - 9342
a	13.2949 ± 0.0005 Å
b	13.2949 ± 0.0005 Å
c	61.02 ± 0.003 Å
α	90°
β	90°
γ	120°
Cell volume	9340.6 ± 0.7 Å³
Cell temperature	200 K
Number of distinct elements	8
Space group number	148
Hermann-Mauguin space group symbol	R -3 :H
Hall space group symbol	-R 3
Residual factor for significantly intense reflections	0.065
Weighted residual factors for all reflections included in the refinement	0.062
Goodness-of-fit parameter for all reflections included in the refinement	2.687
Diffraction radiation wavelength	1.54183 Å
Diffraction radiation type	CuKα
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.	4116559.cif
130086	2015-01-23	cod/ (robertas@burundukas) The 'cif_fix_values' program was applied to CIFs that have generated the validation messages containing tag '_exptl_crystal_density_meas'. 16946 CIFs had a values that were perceived as 'not measured' and they were changed to '?'. The total of 17089 CIFs was changed. Those that were not corrected by 'cif_fix_values' were reformatted by the parser (e.g. a doi tag was moved to another place). The processing command was: mysql -u cod_reader -h www.crystallography.net cod -e \ 'select distinct codid from validation \ where message like \ "%tag%_exptl_crystal_density_meas'\''%"' -NB \ \| xargs -i sh -c 'cif_fix_values {} \ \| cif_filter --add-cif-header {} \ \| sponge {}'	4116559.cif
72684	2013-01-25	cif/ Adding structures of 4116559 via cif-deposit CGI script.	4116559.cif