Crystallography Open Database

Information card for entry 7246234

Preview

Coordinates	7246234.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H28 Cu F6 N6 O17 S2
Calculated formula	C28 H28 Cu F6 N6 O17 S2
SMILES	[Cu]12([OH2])(OS(=O)(=O)C(F)(F)F)([n]3c(cc(c(c3)C(=O)OC)C(=O)OC)c3[n]1ccnc3)[n]1c(c3[n]2ccnc3)cc(c(c1)C(=O)OC)C(=O)OC.S(=O)(=O)(C(F)(F)F)[O-].O.O
Title of publication	Copper(ii) and silver(i) complexes with dimethyl 6-(pyrazine-2-yl)pyridine-3,4-dicarboxylate (py-2pz): the influence of the metal ion on the antimicrobial potential of the complex
Authors of publication	Andrejević, Tina P.; Aleksic, Ivana; Kljun, Jakob; Počkaj, Marta; Zlatar, Matija; Vojnovic, Sandra; Nikodinovic-Runic, Jasmina; Turel, Iztok; Djuran, Miloš I.; Glišić, Biljana Đ.
Journal of publication	RSC Advances
Year of publication	2023
Journal volume	13
Journal issue	7
Pages of publication	4376 - 4393
a	8.2856 ± 0.0003 Å
b	12.1191 ± 0.0005 Å
c	19.2393 ± 0.0006 Å
α	82.105 ± 0.003°
β	86.22 ± 0.003°
γ	77.071 ± 0.003°
Cell volume	1863.83 ± 0.12 Å³
Cell temperature	150.05 ± 0.1 K
Ambient diffraction temperature	150.05 ± 0.1 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1249
Residual factor for significantly intense reflections	0.1091
Weighted residual factors for significantly intense reflections	0.2941
Weighted residual factors for all reflections included in the refinement	0.3109
Goodness-of-fit parameter for all reflections included in the refinement	1.026
Diffraction radiation probe	x-ray
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
280744 (current)	2023-02-02	cif/ Adding structures of 7246231, 7246232, 7246233, 7246234, 7246235 via cif-deposit CGI script.	7246234.cif