Crystallography Open Database

Information card for entry 7250847

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Coordinates	7250847.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C62 H71 Cl3 F24 N8 Ni2 O18
Calculated formula	C62 H71 Cl3 F24 N8 Ni2 O18
Title of publication	Design of a new nitronyl-nitroxide biradical and its complexes: synthesis, crystal structures and magnetic properties
Authors of publication	Andruh, Marius; Spinu, Cristian A.; Novitchi, Ghénadie; Hillebrand, Mihaela; Mocanu, Teodora; Ionita, Gabriela; Hanganu, Anamaria; Tecuceanu, Victorita
Journal of publication	CrystEngComm
Year of publication	2025
a	12.6913 ± 0.0009 Å
b	34.918 ± 0.0019 Å
c	18.906 ± 0.0008 Å
α	90°
β	95.976 ± 0.005°
γ	90°
Cell volume	8332.8 ± 0.8 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1423
Residual factor for significantly intense reflections	0.0716
Weighted residual factors for significantly intense reflections	0.1893
Weighted residual factors for all reflections included in the refinement	0.2311
Goodness-of-fit parameter for all reflections included in the refinement	1.02
Diffraction radiation probe	x-ray
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
302080 (current)	2025-09-10	cif/ Adding structures of 7250845, 7250846, 7250847 via cif-deposit CGI script.	7250847.cif