Crystallography Open Database

Information card for entry 7721128

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Coordinates	7721128.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C60 H53 B2 F8 Fe N15 O
Calculated formula	C60 H53 B2 F8 Fe N15 O
Title of publication	Light-Responsive Spin-Crossover Iron(II) Complexes with Azo-Pyridyl-Benzimidazole Ligands for Molecular Thin Films
Authors of publication	Čierny, Oliver; Sagatova, Alexandra; Orvoš, Jakub; Pavlik, Jan; Moncol, Jan; Nemec, Ivan; Halahovets, Yuriy; Hofbauerová, Monika; Siffalovic, Peter; Micusik, Matej; Meunier, Jean-François; Brachnakova, Barbora; Fischer, Róbert; Michalik, Martin; Salitros, Ivan
Journal of publication	Dalton Transactions
Year of publication	2026
a	12.5947 ± 0.0005 Å
b	14.322 ± 0.0007 Å
c	17.2535 ± 0.0008 Å
α	73.089 ± 0.004°
β	76.859 ± 0.004°
γ	74.175 ± 0.004°
Cell volume	2827.5 ± 0.2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 0.2 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	0.0962
Residual factor for significantly intense reflections	0.0712
Weighted residual factors for significantly intense reflections	0.1935
Weighted residual factors for all reflections included in the refinement	0.2122
Goodness-of-fit parameter for all reflections included in the refinement	1.043
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
306562 (current)	2026-06-12	cif/ Adding structures of 7721128, 7721129 via cif-deposit CGI script.	7721128.cif