Information card for entry 7714763

Structure parameters

• Formula: C27 H23 F12 Fe Mn N2 O6
• Calculated formula: C27 H23 F12 Fe Mn N2 O6
• 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: 14.3528 ± 0.0003 Å
• b: 15.6852 ± 0.0004 Å
• c: 14.5169 ± 0.0003 Å
• α: 90°
• β: 97.424 ± 0.002°
• γ: 90°
• Cell volume: 3240.74 ± 0.13 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1112
• Residual factor for significantly intense reflections: 0.0492
• Weighted residual factors for significantly intense reflections: 0.1075
• Weighted residual factors for all reflections included in the refinement: 0.1311
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No