Crystallography Open Database

Information card for entry 7063769

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Coordinates	7063769.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C46 H34 Cu2 F30 N6 O12
Calculated formula	C46 H34 Cu2 F30 N6 O12
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	10.129 ± 0.0006 Å
b	11.3259 ± 0.0007 Å
c	15.4203 ± 0.0009 Å
α	97.324 ± 0.003°
β	103.008 ± 0.004°
γ	116.335 ± 0.003°
Cell volume	1491.47 ± 0.17 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	0.1296
Residual factor for significantly intense reflections	0.046
Weighted residual factors for significantly intense reflections	0.0957
Weighted residual factors for all reflections included in the refinement	0.1141
Goodness-of-fit parameter for all reflections included in the refinement	0.84
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.	7063769.cif