Crystallography Open Database

Information card for entry 4302883

Preview

Coordinates	4302883.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C66 H30 F48 N2 Nd2 O18 S8
Calculated formula	C66 H26 F48 N2 Nd2 O18 S8
Title of publication	4-(2-Tetrathiafulvalenyl-ethenyl)pyridine (TTF-CH=CH-Py) Radical Cation Salts Containing Poly(β-diketonate) Rare Earth Complexes: Synthesis, Crystal Structure, Photoluminescent and Magnetic Properties
Authors of publication	Fabrice Pointillart; Olivier Maury; Yann Le Gal; Stéphane Golhen; Olivier Cador
Journal of publication	Inorganic Chemistry
Year of publication	2009
Journal volume	48
Pages of publication	7421 - 7429
a	16.929 ± 0.0008 Å
b	17.4612 ± 0.0007 Å
c	20.1786 ± 0.0009 Å
α	97.421 ± 0.002°
β	109.498 ± 0.002°
γ	107.129 ± 0.002°
Cell volume	5199.2 ± 0.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1097
Residual factor for significantly intense reflections	0.0642
Weighted residual factors for significantly intense reflections	0.1742
Weighted residual factors for all reflections included in the refinement	0.21
Goodness-of-fit parameter for all reflections included in the refinement	1.092
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
179066 (current)	2016-03-22	cif/4/30/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/30/28.	4302883.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4302883.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4302883.cif
1125	2010-04-25	cif/4/ Adding CIFs for the Inorg-Chem-2009_11-24 deposition.	4302883.cif