Crystallography Open Database

Information card for entry 4327988

Preview

Coordinates	4327988.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C60 H28 Er2 F36 N2 O20 S8
Calculated formula	C60 H28 Er2 F36 N2 O20 S8
Title of publication	In Solution Sensitization of Er(III) Luminescence by the 4-Tetrathiafulvalene-2,6-pyridinedicarboxylic Acid Dimethyl Antenna Ligand
Authors of publication	Fabrice Pointillart; Adrien Bourdolle; Thomas Cauchy; Olivier Maury; Yann Le Gal; Stéphane Golhen; Olivier Cador; Lahcène Ouahab
Journal of publication	Inorganic Chemistry
Year of publication	2012
Journal volume	51
Pages of publication	978 - 984
a	17.91 ± 0.005 Å
b	17.91 ± 0.005 Å
c	22.424 ± 0.005 Å
α	90°
β	90°
γ	120°
Cell volume	6229 ± 3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
Space group number	144
Hermann-Mauguin space group symbol	P 31
Hall space group symbol	P 31
Residual factor for all reflections	0.1153
Residual factor for significantly intense reflections	0.0661
Weighted residual factors for significantly intense reflections	0.1577
Weighted residual factors for all reflections included in the refinement	0.1875
Goodness-of-fit parameter for all reflections included in the refinement	1.023
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
179382 (current)	2016-03-23	cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/79.	4327988.cif
76932	2013-03-22	cif/ Adding structures of 4327988 via cif-deposit CGI script.	4327988.cif