Crystallography Open Database

Information card for entry 4329928

Preview

Coordinates	4329928.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C45 H29 F18 N2 Ni O8 S6 Y
Calculated formula	C45 H29 F18 N2 Ni O8 S6 Y
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	13.2766 ± 0.0006 Å
b	13.3127 ± 0.001 Å
c	16.5097 ± 0.0013 Å
α	85.513 ± 0.003°
β	77.716 ± 0.004°
γ	84.331 ± 0.004°
Cell volume	2832.4 ± 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	0.1119
Residual factor for significantly intense reflections	0.0517
Weighted residual factors for significantly intense reflections	0.1149
Weighted residual factors for all reflections included in the refinement	0.1443
Goodness-of-fit parameter for all reflections included in the refinement	0.998
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.	4329928.cif
79171	2013-04-04	cif/ Adding structures of 4329928 via cif-deposit CGI script.	4329928.cif