Information card for entry 7063766

Structure parameters

• Formula: C56 H44 Cu2 F24 N6 O12
• Calculated formula: C56 H44 Cu2 F24 N6 O12
• Title of publication: Heterospin molecular complexes of Cu(hfac)2 with pyridyl-substituted nitronyl nitroxides: peculiarities of structure and magnetic properties
• Authors of publication: Tolstikov, Svyatoslav E.; Kolesnikov, Andrey E.; Smirnova, Kristina A.; Letyagin, Gleb A.; Bogomyakov, Artem S.; Romanenko, Galina V.; Ovcharenko, Victor I.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2025
• Journal volume: 49
• Journal issue: 18
• Pages of publication: 7655 - 7660
• a: 10.1211 ± 0.0005 Å
• b: 11.8936 ± 0.0007 Å
• c: 15.7645 ± 0.0008 Å
• α: 94.128 ± 0.004°
• β: 108.514 ± 0.004°
• γ: 114.163 ± 0.004°
• Cell volume: 1596.44 ± 0.17 ų
• Cell temperature: 240 ± 2 K
• Ambient diffraction temperature: 240 ± 2 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: 0.1032
• Residual factor for significantly intense reflections: 0.0618
• Weighted residual factors for significantly intense reflections: 0.1556
• Weighted residual factors for all reflections included in the refinement: 0.1812
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No