Crystallography Open Database

Information card for entry 1512756

Preview

Coordinates	1512756.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H21 Cl2 N2 Ni O4.75
Calculated formula	C20 H19.5 Cl2 N2 Ni O4.75
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	8.114 ± 0.004 Å
b	13.482 ± 0.009 Å
c	20.271 ± 0.01 Å
α	94.56 ± 0.02°
β	90.96 ± 0.02°
γ	100.58 ± 0.02°
Cell volume	2172 ± 2 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0564
Residual factor for significantly intense reflections	0.0517
Weighted residual factors for significantly intense reflections	0.1287
Weighted residual factors for all reflections included in the refinement	0.1321
Goodness-of-fit parameter for all reflections included in the refinement	1.022
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
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.	1512756.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1512756.cif
90832	2013-11-19	cif/ Adding structures of 1512756 via cif-deposit CGI script.	1512756.cif