Crystallography Open Database

Information card for entry 7716621

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Coordinates	7716621.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H23 Cu F12 N4 O6
Calculated formula	C23 H23 Cu F12 N4 O6
Title of publication	Solvent-controlled solid-state phase transitions of a heterospin Cu(II) complex with imidazolyl-substituted nitronyl nitroxide.
Authors of publication	Smirnova, Kristina A.; Golomolzina, Irina V.; Romanenko, Galina V.; Fokin, Sergey V.; Tolstikov, Svyatoslav E.; Letyagin, Gleb A.; Chernavin, Platon A.; Bogomyakov, Artem S.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2024
Journal volume	53
Journal issue	31
Pages of publication	13119 - 13128
a	12.4968 ± 0.0004 Å
b	21.3202 ± 0.0006 Å
c	13.1871 ± 0.0003 Å
α	90°
β	116.599 ± 0.0017°
γ	90°
Cell volume	3141.65 ± 0.16 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0737
Residual factor for significantly intense reflections	0.0429
Weighted residual factors for significantly intense reflections	0.1067
Weighted residual factors for all reflections included in the refinement	0.1197
Goodness-of-fit parameter for all reflections included in the refinement	0.859
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
294575 (current)	2024-09-06	cif/ Updating files of 7716620, 7716621, 7716622, 7716623, 7716624, 7716625, 7716626, 7716627, 7716628, 7716629, 7716630, 7716631, 7716632 Original log message: Adding full bibliography for 7716620--7716632.cif.	7716621.cif
293397	2024-07-13	cif/ Adding structures of 7716620, 7716621, 7716622, 7716623, 7716624, 7716625, 7716626, 7716627, 7716628, 7716629, 7716630, 7716631, 7716632 via cif-deposit CGI script.	7716621.cif