Crystallography Open Database

Information card for entry 7219352

7219351 << 7219352 >> 7219353

Preview

Coordinates	7219352.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H16 Cu N6 O3 S
Calculated formula	C19 H16 Cu N6 O3 S
SMILES	c1cccc2c3cccc[n]3[Cu]34([n]12)[N](=Cc1c(ccc(c1)N(=O)=O)O3)N=C(NC)S4
Title of publication	Synthesis and structures of 5-Nitro-salicylaldehyde thiosemicarbazonates of Copper(II) : molecular spectroscopy, ESI-mass, antimicrobial activity and cytotoxicity
Authors of publication	Lobana, Tarlok Singh; Indoria, Shikha Indoria; Kaur, Harpreet; Arora, Daljit; Jassal, Amanpreet K.; Jasinski, Jerry P.
Journal of publication	RSC Adv.
Year of publication	2015
a	8.073 ± 0.002 Å
b	9.391 ± 0.003 Å
c	13.924 ± 0.004 Å
α	71.441 ± 0.015°
β	85.42 ± 0.015°
γ	75.557 ± 0.016°
Cell volume	969.1 ± 0.5 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1888
Residual factor for significantly intense reflections	0.0675
Weighted residual factors for significantly intense reflections	0.1853
Weighted residual factors for all reflections included in the refinement	0.3256
Goodness-of-fit parameter for all reflections included in the refinement	1.24
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
180524 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/93.	7219352.cif
130047	2015-01-22	cif/ Adding structures of 7219351, 7219352, 7219353, 7219354, 7219355, 7219356, 7219357 via cif-deposit CGI script.	7219352.cif