Crystallography Open Database

Information card for entry 8103121

Preview

Coordinates	8103121.cif

Structure parameters

Chemical name	nickel N,N'-bis(2-hydroxy-4-methoxysalicylidene)ethylenediaminato
Formula	C18 H18 N2 Ni O4
Calculated formula	C18 H18 N2 Ni O4
SMILES	[Ni]123Oc4cc(ccc4C=[N]2CC[N]3=Cc2ccc(OC)cc2O1)OC
Title of publication	Crystal structure of N,N'-bis(2-hydroxy-4-methoxysalicylidene)ethylenediaminatonickel(II), Ni(C18H18N2O4)
Authors of publication	Saman Hajmohammadi; Masoumeh Tabatabaee; Sohrab Hajmohammadi; Nasim Basir Ghafoori; Masood Parvez
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2011
Journal volume	226
Journal issue	1
Pages of publication	131
a	25.8838 ± 0.0013 Å
b	6.3836 ± 0.0003 Å
c	9.9193 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	1638.98 ± 0.14 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.0462
Residual factor for significantly intense reflections	0.0407
Weighted residual factors for significantly intense reflections	0.0825
Weighted residual factors for all reflections included in the refinement	0.0877
Goodness-of-fit parameter for all reflections included in the refinement	1.079
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
176728 (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 8.	8103121.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	8103121.cif
29071	2011-11-02	../uploads/cif-deposit/cod/cif Adding structures of 8103121 via cif-deposit CGI script.	8103121.cif