Crystallography Open Database

Information card for entry 1512755

Preview

Coordinates	1512755.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H22 Cl2 N2 Ni O8
Calculated formula	C20 H22 Cl2 N2 Ni O8
SMILES	[Ni]1234(Cl)[O]5CC([OH]2)C[O]1c1c(C=[N]4CC(O)C[N]3=Cc2c5cccc2)cccc1.Cl(=O)(=O)(=O)[O-]
Title of publication	Nickel(II) complexes with the macrocyclic schiff base ligand: Synthesis, spectroscopic studies, electrochemical behaviours and 1D supramolecular structure
Authors of publication	Seyed Amir Zarei; AliAkbar Khandar; Masomeh Khatamian; Seyed Abolfazl Hosseini-Yazdi; Isabelle Dechamps; Emmanuel Guillon; Mohammad Piltan
Journal of publication	Inorganica Chimica Acta
Year of publication	2013
Journal volume	394
Pages of publication	348 - 352
a	10.4237 ± 0.0013 Å
b	31.98 ± 0.006 Å
c	6.6452 ± 0.001 Å
α	90°
β	97.858 ± 0.011°
γ	90°
Cell volume	2194.4 ± 0.6 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
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	0.0761
Residual factor for significantly intense reflections	0.0341
Weighted residual factors for significantly intense reflections	0.0666
Weighted residual factors for all reflections included in the refinement	0.0704
Goodness-of-fit parameter for all reflections included in the refinement	0.813
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.	1512755.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1512755.cif
90831	2013-11-19	cif/ Adding structures of 1512755 via cif-deposit CGI script.	1512755.cif