Crystallography Open Database

Information card for entry 7056744

Preview

Coordinates	7056744.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H24 N6 Ni S2
Calculated formula	C20 H24 N6 Ni S2
SMILES	c1(ccccc1)NC1=N[N](=C(C)C)[Ni]2(S1)[N](=C(C)C)N=C(Nc1ccccc1)S2
Title of publication	Square planar Ni(II) complexes of acetone N4-phenyl-thiosemicarbazone and in situ generated benzoyl thiosemicarbazide ligand: Synthesis, spectral and structural characterizations, thermal behaviour and electrochemical studies
Authors of publication	Bharty, M. K.; Paswan, Santosh; Bharati, P.; Sonkar, Piyush Kumar; Ganesan, Vellaichamy; Butcher, Raymond J.
Journal of publication	New Journal of Chemistry
Year of publication	2017
Journal volume	41
Journal issue	24
Pages of publication	15466 - 15474
a	23.403 ± 0.002 Å
b	7.6265 ± 0.0005 Å
c	12.2279 ± 0.0009 Å
α	90°
β	96.569 ± 0.007°
γ	90°
Cell volume	2168.1 ± 0.3 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
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	0.0953
Residual factor for significantly intense reflections	0.0633
Weighted residual factors for significantly intense reflections	0.1522
Weighted residual factors for all reflections included in the refinement	0.1837
Goodness-of-fit parameter for all reflections included in the refinement	1.083
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
301442 (current)	2025-08-04	Updating journal pages, volumes and years from the data sent by Robert McMeeking. cod/ (saulius@pterodaktilis)	7056744.cif
203106	2017-11-13	cif/ Adding structures of 7056743, 7056744 via cif-deposit CGI script.	7056744.cif