Crystallography Open Database

Information card for entry 4341452

Preview

Coordinates	4341452.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H18 I2 N6 Ni
Calculated formula	C22 H18 I2 N6 Ni
SMILES	I[Ni]12(I)([N](c3ccccc3)=Nc3[n]1cccc3)[N](=Nc1[n]2cccc1)c1ccccc1
Title of publication	Ligand-Centered Redox in Nickel(II) Complexes of 2-(Arylazo)pyridine and Isolation of 2-Pyridyl-Substituted Triaryl Hydrazines via Catalytic N-Arylation of Azo-Function.
Authors of publication	Sengupta, Debabrata; Ghosh, Pradip; Chatterjee, Tanmay; Datta, Harashit; Paul, Nanda D.; Goswami, Sreebrata
Journal of publication	Inorganic chemistry
Year of publication	2014
Pages of publication	141105122752002
a	10.209 ± 0.005 Å
b	15.357 ± 0.005 Å
c	14.586 ± 0.005 Å
α	90 ± 0.005°
β	93.112 ± 0.005°
γ	90 ± 0.005°
Cell volume	2283.4 ± 1.6 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
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	0.0392
Residual factor for significantly intense reflections	0.0299
Weighted residual factors for significantly intense reflections	0.0704
Weighted residual factors for all reflections included in the refinement	0.0742
Goodness-of-fit parameter for all reflections included in the refinement	1.052
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
179517 (current)	2016-03-23	cif/4/34/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/34/14.	4341452.cif
126611	2014-11-07	cif/ Adding structures of 4341449, 4341450, 4341451, 4341452, 4341453 via cif-deposit CGI script.	4341452.cif