Crystallography Open Database

Information card for entry 4329927

Preview

Coordinates	4329927.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C45 H29 Cu F18 N2 O8 S6 Yb
Calculated formula	C45 H29 Cu F18 N2 O8 S6 Yb
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	12.5872 ± 0.0008 Å
b	13.7283 ± 0.0009 Å
c	17.4659 ± 0.0008 Å
α	87.316 ± 0.004°
β	88.101 ± 0.004°
γ	66.921 ± 0.002°
Cell volume	2773.2 ± 0.3 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	0.075
Residual factor for significantly intense reflections	0.0456
Weighted residual factors for significantly intense reflections	0.1065
Weighted residual factors for all reflections included in the refinement	0.1246
Goodness-of-fit parameter for all reflections included in the refinement	1.02
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.	4329927.cif
79170	2013-04-04	cif/ Adding structures of 4329927 via cif-deposit CGI script.	4329927.cif