Crystallography Open Database

Information card for entry 7023900

Preview

Coordinates	7023900.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C50 H58 Br4 Cu2 Fe2 N6 O18
Calculated formula	C50 H58 Br4 Cu2 Fe2 N6 O18
Title of publication	Magnetic, high-field EPR studies and catalytic activity of Schiff base tetranuclear Cu(II)2Fe(III)2 complexes obtained by direct synthesis.
Authors of publication	Nesterova, Oksana V.; Chygorin, Eduard N.; Kokozay, Vladimir N.; Bon, Volodymyr V.; Omelchenko, Irina V.; Shishkin, Oleg V.; Titiš, Ján; Boča, Roman; Pombeiro, Armando J. L.; Ozarowski, Andrew
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2013
Journal volume	42
Journal issue	48
Pages of publication	16909 - 16919
a	12.7243 ± 0.0005 Å
b	12.8239 ± 0.0006 Å
c	13.7739 ± 0.0006 Å
α	105.861 ± 0.002°
β	92.703 ± 0.002°
γ	103.364 ± 0.002°
Cell volume	2088.78 ± 0.16 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 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	0.1324
Residual factor for significantly intense reflections	0.0549
Weighted residual factors for significantly intense reflections	0.1111
Weighted residual factors for all reflections included in the refinement	0.1263
Goodness-of-fit parameter for all reflections included in the refinement	0.807
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
179944 (current)	2016-03-25	cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/39.	7023900.cif
130086	2015-01-23	cod/ (robertas@burundukas) The 'cif_fix_values' program was applied to CIFs that have generated the validation messages containing tag '_exptl_crystal_density_meas'. 16946 CIFs had a values that were perceived as 'not measured' and they were changed to '?'. The total of 17089 CIFs was changed. Those that were not corrected by 'cif_fix_values' were reformatted by the parser (e.g. a doi tag was moved to another place). The processing command was: mysql -u cod_reader -h www.crystallography.net cod -e \ 'select distinct codid from validation \ where message like \ "%tag%_exptl_crystal_density_meas'\''%"' -NB \ \| xargs -i sh -c 'cif_fix_values {} \ \| cif_filter --add-cif-header {} \ \| sponge {}'	7023900.cif
91564	2013-12-13	cif/ Adding structures of 7023899, 7023900 via cif-deposit CGI script.	7023900.cif