Information card for entry 7714762

Structure parameters

• Formula: C54 H46 Co2 F24 Fe2 N4 O11
• Calculated formula: C54 H46 Co2 F24 Fe2 N4 O11
• Title of publication: Ferrocenyl-substituted nitronyl nitroxide in the design of one-dimensional magnets.
• Authors of publication: Maryunina, Kseniya; Nigomedyanova, Daria; Morozov, Vitaly; Smirnova, Kristina; Letyagin, Gleb; Romanenko, Galina; Efimov, Nikolay; Bogomyakov, Artem; Ovcharenko, Victor
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2024
• Journal volume: 53
• Journal issue: 4
• Pages of publication: 1714 - 1721
• a: 13.6953 ± 0.0013 Å
• b: 21.185 ± 0.002 Å
• c: 21.563 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6256.2 ± 1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 7
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.059
• Residual factor for significantly intense reflections: 0.0408
• Weighted residual factors for significantly intense reflections: 0.0999
• Weighted residual factors for all reflections included in the refinement: 0.1078
• Goodness-of-fit parameter for all reflections included in the refinement: 0.942
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No