Crystallography Open Database

Information card for entry 7053058

Preview

Coordinates	7053058.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H35 Gd N8 Ni O14
Calculated formula	C32 H35 Gd N8 Ni O14
SMILES	COc1cccc2c1[O]1[Ni]345([N](=C2)CCc2cccc[n]32)[N](=Cc2cccc(c2[O]5[Gd]2351(ON(=[O]2)=O)(ON(=[O]5)=O)(ON(=[O]3)=O)[OH2])OC)CCc1cccc[n]41.C(#N)C
Title of publication	A new synthetic route towards binuclear 3d‒4f complexes, using non-compartmental ligands derived from o-vanillin. Syntheses, crystal structures, magnetic and luminescent properties
Authors of publication	Sarwar, Masood; Madalan, Augustin M.; Tiseanu, Carmen; Novitchi, Ghenadie; Maxim, Catalin; Marinescu, Gabriela; Luneau, Dominique; Andruh, Marius
Journal of publication	New Journal of Chemistry
Year of publication	2013
Journal volume	37
Journal issue	8
Pages of publication	2280
a	12.8862 ± 0.0005 Å
b	19.4017 ± 0.0006 Å
c	15.1766 ± 0.0006 Å
α	90°
β	98.747 ± 0.003°
γ	90°
Cell volume	3750.2 ± 0.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0732
Residual factor for significantly intense reflections	0.0395
Weighted residual factors for significantly intense reflections	0.0575
Weighted residual factors for all reflections included in the refinement	0.0638
Goodness-of-fit parameter for all reflections included in the refinement	1.006
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
180084 (current)	2016-03-26	cif/7/05/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/05/30.	7053058.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 {}'	7053058.cif
87709	2013-08-27	cif/ Adding structures of 7053056, 7053057, 7053058, 7053059, 7053060, 7053061, 7053062, 7053063, 7053064, 7053065, 7053066, 7053067, 7053068 via cif-deposit CGI script.	7053058.cif