Information card for entry 7250847

Structure parameters

• Formula: C62 H71 Cl3 F24 N8 Ni2 O18
• Calculated formula: C62 H71 Cl3 F24 N8 Ni2 O18
• Title of publication: Design of a new nitronyl-nitroxide biradical and its complexes: synthesis, crystal structures and magnetic properties
• Authors of publication: Spinu, Cristian Andrei; Novitchi, Ghenadie; Hillebrand, Mihaela; Mocanu, Teodora; Ionita, Gabriela; Hanganu, Anamaria; Tecuceanu, Victoriţa; Andruh, Marius
• Journal of publication: CrystEngComm
• Year of publication: 2025
• Journal volume: 27
• Journal issue: 39
• Pages of publication: 6462 - 6472
• a: 12.6913 ± 0.0009 Å
• b: 34.918 ± 0.0019 Å
• c: 18.906 ± 0.0008 Å
• α: 90°
• β: 95.976 ± 0.005°
• γ: 90°
• Cell volume: 8332.8 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1423
• Residual factor for significantly intense reflections: 0.0716
• Weighted residual factors for significantly intense reflections: 0.1893
• Weighted residual factors for all reflections included in the refinement: 0.2311
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No