Crystallography Open Database

Information card for entry 7063244

Preview

Coordinates	7063244.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H30 Cu2 N6 O2 S2
Calculated formula	C22 H30 Cu2 N6 O2 S2
Title of publication	Synthesis, structure and biological properties of a series of dicopper(bis-thiosemicarbazone) complexes
Authors of publication	Cebotari, Diana; Calancea, Sergiu; Garbuz, Olga; Balan, Greta; Marrot, Jérôme; Shova, Sergiu; Guérineau, Vincent; Touboul, David; Tsapkov, Victor; Gulea, Aurelian; Floquet, Sébastien
Journal of publication	New Journal of Chemistry
Year of publication	2024
Journal volume	48
Journal issue	26
Pages of publication	12043 - 12053
a	12.7043 ± 0.0002 Å
b	13.4872 ± 0.0003 Å
c	17.5847 ± 0.0003 Å
α	93.979 ± 0.002°
β	111.099 ± 0.001°
γ	113.048 ± 0.001°
Cell volume	2507.85 ± 0.09 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100.15 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	0.0697
Residual factor for significantly intense reflections	0.064
Weighted residual factors for significantly intense reflections	0.1808
Weighted residual factors for all reflections included in the refinement	0.1835
Goodness-of-fit parameter for all reflections included in the refinement	1.085
Diffraction radiation wavelength	0.72932 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
293202 (current)	2024-07-05	cif/ Updating files of 7063243, 7063244, 7063245, 7063246, 7063247, 7063248 Original log message: Adding full bibliography for 7063243--7063248.cif.	7063244.cif
292215	2024-06-06	cif/ Adding structures of 7063243, 7063244, 7063245, 7063246, 7063247, 7063248 via cif-deposit CGI script.	7063244.cif