Crystallography Open Database

Information card for entry 1512464

Preview

Coordinates	1512464.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H24 N3 Ni O P S
Calculated formula	C27 H24 N3 Ni O P S
SMILES	[Ni]12(Oc3c(cccc3)C(=[N]2N=C(S1)N)C)[P](c1ccccc1)(c1ccccc1)c1ccccc1
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	12.5549 ± 0.0003 Å
b	9.6704 ± 0.0002 Å
c	20.8482 ± 0.0005 Å
α	90°
β	100.466 ± 0.001°
γ	90°
Cell volume	2489.09 ± 0.1 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0462
Residual factor for significantly intense reflections	0.033
Weighted residual factors for significantly intense reflections	0.0924
Weighted residual factors for all reflections included in the refinement	0.1025
Goodness-of-fit parameter for all reflections included in the refinement	0.668
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.	1512464.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1512464.cif
89393	2013-10-24	cif/ Adding structures of 1512464 via cif-deposit CGI script.	1512464.cif