Crystallography Open Database

Information card for entry 7063758

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Coordinates	7063758.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H24 Cu F12 N3 O6
Calculated formula	C25 H24 Cu F12 N3 O6
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	12.9249 ± 0.0011 Å
b	15.5532 ± 0.0013 Å
c	19.602 ± 0.0017 Å
α	97.26 ± 0.004°
β	108.948 ± 0.005°
γ	113.736 ± 0.004°
Cell volume	3257.8 ± 0.5 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	0.0968
Residual factor for significantly intense reflections	0.0486
Weighted residual factors for significantly intense reflections	0.1305
Weighted residual factors for all reflections included in the refinement	0.1547
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
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.	7063758.cif