Crystallography Open Database

Information card for entry 1512465

Preview

Coordinates	1512465.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H22 N8 Ni2 O2 S2
Calculated formula	C26 H22 N8 Ni2 O2 S2
SMILES	[Ni]12(Oc3c(cccc3)C=[N]2N=C(S1)N)[n]1ccc(cc1)c1cc[n]([Ni]23[N](N=C(S2)N)=Cc2c(O3)cccc2)cc1
Title of publication	Nickel complexes of some thiosemicarbazones: Synthesis, structure, catalytic properties and cytotoxicity studies
Authors of publication	Sayanti Dattaa; Dipravath Kumar Setha; Sudeshna Gangopadhyayb; Parimal Karmakarb; Samaresh Bhattacharya
Journal of publication	Inorganica Chimica Acta
Year of publication	2012
Journal volume	392
Pages of publication	118 - 130
a	29.4973 ± 0.0005 Å
b	29.4973 ± 0.0005 Å
c	8.4812 ± 0.0002 Å
α	90°
β	90°
γ	120°
Cell volume	6390.8 ± 0.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	148
Hermann-Mauguin space group symbol	R -3 :H
Hall space group symbol	-R 3
Residual factor for all reflections	0.0463
Residual factor for significantly intense reflections	0.0325
Weighted residual factors for significantly intense reflections	0.0934
Weighted residual factors for all reflections included in the refinement	0.1101
Goodness-of-fit parameter for all reflections included in the refinement	1.113
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
176435 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries from ranges 1, 2.	1512465.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1512465.cif
89394	2013-10-24	cif/ Adding structures of 1512465 via cif-deposit CGI script.	1512465.cif