Information card for entry 7721129

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 ų
• 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 Fobs: No