Information card for entry 7714761

Structure parameters

• Formula: C64 H48 Cu3 F36 Fe2 N4 O16
• Calculated formula: C64 H48 Cu3 F36 Fe2 N4 O16
• 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: 12.2065 ± 0.0012 Å
• b: 12.3811 ± 0.0012 Å
• c: 14.0205 ± 0.0013 Å
• α: 86.613 ± 0.005°
• β: 71.39 ± 0.005°
• γ: 83.519 ± 0.006°
• Cell volume: 1994.7 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.1004
• Residual factor for significantly intense reflections: 0.0376
• Weighted residual factors for significantly intense reflections: 0.0814
• Weighted residual factors for all reflections included in the refinement: 0.0978
• Goodness-of-fit parameter for all reflections included in the refinement: 0.773
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No