Crystallography Open Database

Information card for entry 1512890

Preview

Coordinates	1512890.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40.75 H41 Cl Co N3 Na O12.25
Calculated formula	C40.75 H41 Cl Co N3 Na O12.25
SMILES	c12c3cccc1C=[N]1[C@H]([C@H]([N]4=Cc5c6[O]7[Co]814([n]1ccccc1)[O]2[Na]7([OH2])([OH]C(C)C)([O]3C)([O]=C(O8)C)[O](c6ccc5)C)c1ccccc1)c1ccccc1.[O-][Cl](=O)(=O)=O.O=C(C)C
Title of publication	Cobalt(III) Schiff base complexes derived from mesostilbenediamine: Synthesis, characterization, crystal structure, electrochemistry and antibacterial studies
Authors of publication	Hasti Iranmanesh; Mahdi Behzad; Giuseppe Bruno; Hadi Amiri Rudbari; Hossein Nazari; Abolfazl Mohammadi; Omid Taheri
Journal of publication	Inorganica Chimica Acta
Year of publication	2013
Journal volume	395
Pages of publication	81 - 88
a	12.698 ± 0.003 Å
b	15.413 ± 0.003 Å
c	23.105 ± 0.005 Å
α	90°
β	93.42 ± 0.01°
γ	90°
Cell volume	4513.9 ± 1.7 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1404
Residual factor for significantly intense reflections	0.0672
Weighted residual factors for significantly intense reflections	0.1807
Weighted residual factors for all reflections included in the refinement	0.2284
Goodness-of-fit parameter for all reflections included in the refinement	1.007
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
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1512890.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1512890.cif
91051	2013-12-03	cif/ Adding structures of 1512890 via cif-deposit CGI script.	1512890.cif