Crystallography Open Database

Information card for entry 4334889

Preview

Coordinates	4334889.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C70 H42 Dy2 F36 N4 O16 S16
Calculated formula	C70 H42 Dy2 F36 N4 O16 S16
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	11.9724 ± 0.0001 Å
b	31.2383 ± 0.0004 Å
c	13.7112 ± 0.0002 Å
α	90°
β	101.51 ± 0.0006°
γ	90°
Cell volume	5024.82 ± 0.11 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	0.1062
Residual factor for significantly intense reflections	0.0521
Weighted residual factors for significantly intense reflections	0.136
Weighted residual factors for all reflections included in the refinement	0.1742
Goodness-of-fit parameter for all reflections included in the refinement	1.032
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.	4334889.cif
100773	2014-02-07	cif/ Adding structures of 4334889 via cif-deposit CGI script.	4334889.cif