Crystallography Open Database

Information card for entry 7023442

Preview

Coordinates	7023442.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	AGhosh-3
Chemical name	Co(III) Schiff-base dianion, bromide; CH3CN solvate
Formula	C16 H21 Br Cl2 Co N5 O2
Calculated formula	C16 H21 Br Cl2 Co N5 O2
SMILES	C1(C(=O)N2c3cc(c(cc3N3[Co]2([NH2]1)([N]#CC)(Br)[NH2]C(C)(C)C3=O)Cl)Cl)(C)C
Title of publication	Synthesis and characterization of Co(III) amidoamine complexes: influence of substituents of the ligand on catalytic cyclic carbonate synthesis from epoxide and carbon dioxide.
Authors of publication	Ramidi, Punnamchandar; Gerasimchuk, Nikolay; Gartia, Yashraj; Felton, Charlette M.; Ghosh, Anindya
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2013
Journal volume	42
Journal issue	36
Pages of publication	13151 - 13160
a	10.2678 ± 0.0006 Å
b	13.4525 ± 0.0008 Å
c	14.9665 ± 0.0009 Å
α	90°
β	90°
γ	90°
Cell volume	2067.3 ± 0.2 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	7
Space group number	62
Hermann-Mauguin space group symbol	P n m a
Hall space group symbol	-P 2ac 2n
Residual factor for all reflections	0.0466
Residual factor for significantly intense reflections	0.0383
Weighted residual factors for significantly intense reflections	0.0941
Weighted residual factors for all reflections included in the refinement	0.0987
Goodness-of-fit parameter for all reflections included in the refinement	1.091
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
179939 (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 7/02/34.	7023442.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 {}'	7023442.cif
90535	2013-11-18	cif/ Adding structures of 7023441, 7023442 via cif-deposit CGI script.	7023442.cif