Crystallography Open Database

Information card for entry 7063763

Preview

Coordinates	7063763.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C52 H40 Cu2 F24 N6 O12 S2
Calculated formula	C52 H40 Cu2 F24 N6 O12 S2
Title of publication	Heterospin molecular complexes of Cu(hfac)2 with pyridyl-substituted nitronyl nitroxides: peculiarities of structure and magnetic properties
Authors of publication	Tolstikov, Svyatoslav E.; Kolesnikov, Andrey E.; Smirnova, Kristina; Letyagin, Gleb; Bogomyakov, Artem; Romanenko, Galina; Ovcharenko, Victor
Journal of publication	New Journal of Chemistry
Year of publication	2025
a	10.3312 ± 0.0005 Å
b	11.2769 ± 0.0006 Å
c	15.3209 ± 0.0007 Å
α	72.939 ± 0.003°
β	72.059 ± 0.003°
γ	64.992 ± 0.003°
Cell volume	1511.14 ± 0.14 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 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	0.0896
Residual factor for significantly intense reflections	0.0503
Weighted residual factors for significantly intense reflections	0.1134
Weighted residual factors for all reflections included in the refinement	0.1331
Goodness-of-fit parameter for all reflections included in the refinement	1.005
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
299260 (current)	2025-04-11	cif/ Adding structures of 7063753, 7063754, 7063755, 7063756, 7063757, 7063758, 7063759, 7063760, 7063761, 7063762, 7063763, 7063764, 7063765, 7063766, 7063767, 7063768, 7063769, 7063770, 7063771 via cif-deposit CGI script.	7063763.cif