Crystallography Open Database

Information card for entry 1507780

Preview

Coordinates	1507780.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C7 H20 Cl2 N4 Ni O8
Calculated formula	C7 H20 Cl2 N4 Ni O8
SMILES	[Ni]123[NH2]CC[NH]1CC[NH]2CCC[NH2]3.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-]
Title of publication	Synthesis and spectroscopic investigation of new nickel(II) complexes with the open chain asymmetric tetraamine 1,4,7,11-tetraazaundecane: Crystal structure of the square-planar complex
Authors of publication	Hatzipanayioti, D; Veneris, A; Parsons, S
Journal of publication	Inorganica Chimica Acta
Year of publication	2007
Journal volume	360
Pages of publication	2857 - 2861
a	9.9355 ± 0.0008 Å
b	14.1122 ± 0.0011 Å
c	10.963 ± 0.0009 Å
α	90°
β	90.55 ± 0.006°
γ	90°
Cell volume	1537.1 ± 0.2 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0758
Residual factor for significantly intense reflections	0.0611
Weighted residual factors for significantly intense reflections	0.1636
Weighted residual factors for all reflections included in the refinement	0.173
Goodness-of-fit parameter for all reflections included in the refinement	1.075
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
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.	1507780.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1507780.cif
62059	2012-07-06	cif/ Adding structures of 1507780 via cif-deposit CGI script.	1507780.cif