Information card for entry 7063757

Structure parameters

• Formula: C44 H34 Cl2 Cu2 F24 N6 O12
• Calculated formula: C44 H34 Cl2 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: 9.8746 ± 0.0003 Å
• b: 11.1848 ± 0.0003 Å
• c: 15.1435 ± 0.0004 Å
• α: 94.536 ± 0.002°
• β: 105.712 ± 0.002°
• γ: 113.245 ± 0.001°
• Cell volume: 1446.28 ± 0.07 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: 0.071
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for significantly intense reflections: 0.0977
• Weighted residual factors for all reflections included in the refinement: 0.1074
• Goodness-of-fit parameter for all reflections included in the refinement: 0.932
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No