Crystallography Open Database

Information card for entry 7716631

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Coordinates	7716631.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C98 H104 Cu4 F48 N16 O26
Calculated formula	C98 H104 Cu4 F48 N16 O26
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	22.802 ± 0.002 Å
b	45.614 ± 0.004 Å
c	12.88 ± 0.001 Å
α	90°
β	90°
γ	90°
Cell volume	13396 ± 2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	43
Hermann-Mauguin space group symbol	F d d 2
Hall space group symbol	F 2 -2d
Residual factor for all reflections	0.1386
Residual factor for significantly intense reflections	0.0355
Weighted residual factors for significantly intense reflections	0.0449
Weighted residual factors for all reflections included in the refinement	0.0554
Goodness-of-fit parameter for all reflections included in the refinement	0.753
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
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.	7716631.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.	7716631.cif