Crystallography Open Database

Information card for entry 4334888

Preview

Coordinates	4334888.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C70 H42 F36 N4 O16 S16 Tb2
Calculated formula	C70 H42 F36 N4 O16 S16 Tb2
Title of publication	A Series of Tetrathiafulvalene-Based Lanthanide Complexes Displaying Either Single Molecule Magnet or Luminescence-Direct Magnetic and Photo-Physical Correlations in the Ytterbium Analogue
Authors of publication	Fabrice Pointillart; Boris Le Guennic; Thomas Cauchy; Stéphane Golhen; Olivier Cador; Olivier Maury; Lahcène Ouahab
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	5978 - 5990
a	11.9756 ± 0.0002 Å
b	31.2646 ± 0.0008 Å
c	13.7018 ± 0.0003 Å
α	90°
β	101.514 ± 0.0012°
γ	90°
Cell volume	5026.88 ± 0.19 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.1023
Residual factor for significantly intense reflections	0.0545
Weighted residual factors for significantly intense reflections	0.1431
Weighted residual factors for all reflections included in the refinement	0.181
Goodness-of-fit parameter for all reflections included in the refinement	1.043
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
179451 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/48.	4334888.cif
100772	2014-02-07	cif/ Adding structures of 4334888 via cif-deposit CGI script.	4334888.cif