Crystallography Open Database

Information card for entry 7063755

Preview

Coordinates	7063755.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H17 Br Cu F12 N3 O6
Calculated formula	C22 H17 Br 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	9.9004 ± 0.0006 Å
b	11.1739 ± 0.0007 Å
c	15.218 ± 0.0009 Å
α	94.67 ± 0.003°
β	105.3 ± 0.003°
γ	113.986 ± 0.003°
Cell volume	1449.21 ± 0.16 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 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	0.06
Residual factor for significantly intense reflections	0.0556
Weighted residual factors for significantly intense reflections	0.1673
Weighted residual factors for all reflections included in the refinement	0.1701
Goodness-of-fit parameter for all reflections included in the refinement	1.074
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
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.	7063755.cif