Crystallography Open Database

Information card for entry 7063245

Preview

Coordinates	7063245.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36.15 H62 Cl4 Cu4 N12 O25 S4
Calculated formula	C36.148 H62 Cl4 Cu4 N12 O25 S4
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	9.082 ± 0.0011 Å
b	11.388 ± 0.0011 Å
c	16.0107 ± 0.0016 Å
α	102.963 ± 0.009°
β	95.669 ± 0.009°
γ	99.977 ± 0.009°
Cell volume	1572.9 ± 0.3 Å³
Cell temperature	160.05 ± 0.1 K
Ambient diffraction temperature	160.05 ± 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	0.1271
Residual factor for significantly intense reflections	0.0934
Weighted residual factors for significantly intense reflections	0.229
Weighted residual factors for all reflections included in the refinement	0.254
Goodness-of-fit parameter for all reflections included in the refinement	1.037
Diffraction radiation probe	x-ray
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.	7063245.cif
292215	2024-06-06	cif/ Adding structures of 7063243, 7063244, 7063245, 7063246, 7063247, 7063248 via cif-deposit CGI script.	7063245.cif