Crystallography Open Database

Information card for entry 7063247

Preview

Coordinates	7063247.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H31 Cu2 N7 O5 S2
Calculated formula	C22 H31 Cu2 N7 O5 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	8.3539 ± 0.0005 Å
b	13.0012 ± 0.0007 Å
c	15.5862 ± 0.0008 Å
α	67.663 ± 0.002°
β	75.254 ± 0.002°
γ	76.278 ± 0.002°
Cell volume	1495.45 ± 0.14 Å³
Cell temperature	294 K
Ambient diffraction temperature	294 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	0.0812
Residual factor for significantly intense reflections	0.0507
Weighted residual factors for significantly intense reflections	0.1317
Weighted residual factors for all reflections included in the refinement	0.1543
Goodness-of-fit parameter for all reflections included in the refinement	1.039
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
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.	7063247.cif
292215	2024-06-06	cif/ Adding structures of 7063243, 7063244, 7063245, 7063246, 7063247, 7063248 via cif-deposit CGI script.	7063247.cif