Crystallography Open Database

Information card for entry 7219354

7219353 << 7219354 >> 7219355

Preview

Coordinates	7219354.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H24 Cu N6 O6 S
Calculated formula	C20 H18 Cu N6 O6 S
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	8.1557 ± 0.0018 Å
b	11.023 ± 0.003 Å
c	14.092 ± 0.003 Å
α	104.4 ± 0.013°
β	93.284 ± 0.013°
γ	99.663 ± 0.014°
Cell volume	1203.1 ± 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	0.1598
Residual factor for significantly intense reflections	0.0787
Weighted residual factors for significantly intense reflections	0.2088
Weighted residual factors for all reflections included in the refinement	0.2624
Goodness-of-fit parameter for all reflections included in the refinement	0.959
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
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.	7219354.cif
130047	2015-01-22	cif/ Adding structures of 7219351, 7219352, 7219353, 7219354, 7219355, 7219356, 7219357 via cif-deposit CGI script.	7219354.cif