Crystallography Open Database

Information card for entry 4329929

Preview

Coordinates	4329929.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C76 H52 Cu2 Er2 F36 N4 O16 S12
Calculated formula	C76 H52 Cu2 Er2 F36 N4 O16 S12
Title of publication	3d4f Heterobimetallic Dinuclear and Tetranuclear Complexes Involving Tetrathiafulvalene as Ligands: X-ray Structures and Magnetic and Photophysical Investigations
Authors of publication	Goulven Cosquer; Fabrice Pointillart; Boris Le Guennic; Yann Le Gal; Stéphane Golhen; Olivier Cador; Lahcène Ouahab
Journal of publication	Inorganic Chemistry
Year of publication	2012
Journal volume	51
Pages of publication	8488 - 8501
a	12.8981 ± 0.0013 Å
b	13.7598 ± 0.0016 Å
c	18.736 ± 0.002 Å
α	93.903 ± 0.004°
β	95.854 ± 0.005°
γ	111.867 ± 0.005°
Cell volume	3049.5 ± 0.6 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	8
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1213
Residual factor for significantly intense reflections	0.0598
Weighted residual factors for significantly intense reflections	0.1318
Weighted residual factors for all reflections included in the refinement	0.1536
Goodness-of-fit parameter for all reflections included in the refinement	0.928
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
179402 (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 4/32/99.	4329929.cif
79172	2013-04-04	cif/ Adding structures of 4329929 via cif-deposit CGI script.	4329929.cif