Crystallography Open Database

Information card for entry 1507914

Preview

Coordinates	1507914.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H24 N12 Ni O6 S2
Calculated formula	C30 H24 N12 Ni O6 S2
SMILES	[Ni]1234([S]=C(N[N]1=Cc1[n]2cccc1)Nc1ccccc1)[S]=C(N[N]4=Cc1[n]3cccc1)Nc1ccccc1.O=N(=O)[O-].O=N(=O)[O-].N#CC.N#CC
Title of publication	Mono- and di-nuclear nickel(II) complexes with mixed N/S-donor ligands: Syntheses, structures and physical properties
Authors of publication	Panjaa, Anangamohan; Eichhorn, David M
Journal of publication	Inorganica Chimica Acta
Year of publication	2012
Journal volume	391
Pages of publication	88 - 92
a	20.568 ± 0.005 Å
b	12.316 ± 0.005 Å
c	15.551 ± 0.005 Å
α	90 ± 0.005°
β	117.519 ± 0.005°
γ	90 ± 0.005°
Cell volume	3494 ± 2 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0844
Residual factor for significantly intense reflections	0.0528
Weighted residual factors for significantly intense reflections	0.1247
Weighted residual factors for all reflections included in the refinement	0.1442
Goodness-of-fit parameter for all reflections included in the refinement	1.042
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.	1507914.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1507914.cif
62460	2012-07-09	cif/ Adding structures of 1507914 via cif-deposit CGI script.	1507914.cif