Crystallography Open Database

Information card for entry 4314906

Preview

Coordinates	4314906.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H22 Cu2 F24 N6 O12 S8
Calculated formula	C42 H22 Cu2 F24 N6 O12 S8
Title of publication	Experimental and Theoretical Studies on Photophysical Properties: Tuning Redox-Active Amido-Tetrathiafulvalene Derivatives in Paramagnetic Coordination Complexes
Authors of publication	Fabrice Pointillart; Thomas Cauchy; Yann Le Gal; Stéphane Golhen; Olivier Cador; Lahcène Ouahab
Journal of publication	Inorganic Chemistry
Year of publication	2010
Journal volume	49
Pages of publication	1947 - 1960
a	9.548 ± 0.005 Å
b	14.816 ± 0.005 Å
c	21.493 ± 0.005 Å
α	94.972 ± 0.005°
β	94.61 ± 0.005°
γ	93.274 ± 0.005°
Cell volume	3013 ± 2 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	0.1048
Residual factor for significantly intense reflections	0.0628
Weighted residual factors for significantly intense reflections	0.168
Weighted residual factors for all reflections included in the refinement	0.1965
Goodness-of-fit parameter for all reflections included in the refinement	1.021
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
179229 (current)	2016-03-23	cif/4/31/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/31/49.	4314906.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4314906.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4314906.cif
8049	2011-02-03	../uploads/cif-deposit/cod/cif Adding structures of 4314906 via cif-deposit CGI script.	4314906.cif