Crystallography Open Database

Information card for entry 7063767

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Coordinates	7063767.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C108 H104 Cu4 F48 N12 O24
Calculated formula	C108 H104 Cu4 F48 N12 O24
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	12.8787 ± 0.0004 Å
b	15.4515 ± 0.0005 Å
c	19.9472 ± 0.0007 Å
α	69.652 ± 0.002°
β	71.759 ± 0.002°
γ	66.608 ± 0.002°
Cell volume	3344.5 ± 0.2 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 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	0.1822
Residual factor for significantly intense reflections	0.0537
Weighted residual factors for significantly intense reflections	0.1113
Weighted residual factors for all reflections included in the refinement	0.1505
Goodness-of-fit parameter for all reflections included in the refinement	0.955
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.	7063767.cif