Crystallography Open Database

Information card for entry 4314907

Preview

Coordinates	4314907.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H34 F12 Mn N4 O8 S8
Calculated formula	C42 H34 F12 Mn N4 O8 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	16.9912 ± 0.0005 Å
b	10.591 ± 0.0004 Å
c	30.1362 ± 0.0015 Å
α	90°
β	91.067 ± 0.002°
γ	90°
Cell volume	5422.2 ± 0.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.1839
Residual factor for significantly intense reflections	0.0583
Weighted residual factors for significantly intense reflections	0.1533
Weighted residual factors for all reflections included in the refinement	0.2366
Goodness-of-fit parameter for all reflections included in the refinement	0.8
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.	4314907.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4314907.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4314907.cif
8050	2011-02-03	../uploads/cif-deposit/cod/cif Adding structures of 4314907 via cif-deposit CGI script.	4314907.cif