Crystallography Open Database

Information card for entry 7721129

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Coordinates	7721129.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C57 H45 Cl2 Fe N15 O9
Calculated formula	C57 H45 Cl2 Fe N15 O9
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	12.947 ± 0.0005 Å
b	15.0295 ± 0.0006 Å
c	16.425 ± 0.0007 Å
α	69.881 ± 0.003°
β	73.152 ± 0.003°
γ	82.435 ± 0.003°
Cell volume	2870.4 ± 0.2 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.162
Residual factor for significantly intense reflections	0.099
Weighted residual factors for significantly intense reflections	0.2334
Weighted residual factors for all reflections included in the refinement	0.2776
Goodness-of-fit parameter for all reflections included in the refinement	1.039
Diffraction radiation wavelength	1.54186 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
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.	7721129.cif