Information card for entry 7250846

Structure parameters

• Formula: C17 H14 N2 O8
• Calculated formula: C17 H14 N2 O8
• 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: 8.4632 ± 0.001 Å
• b: 9.8218 ± 0.0014 Å
• c: 10.1702 ± 0.0014 Å
• α: 101.627 ± 0.012°
• β: 93.54 ± 0.01°
• γ: 90.027 ± 0.011°
• Cell volume: 826.39 ± 0.19 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1059
• Residual factor for significantly intense reflections: 0.0789
• Weighted residual factors for significantly intense reflections: 0.2409
• Weighted residual factors for all reflections included in the refinement: 0.2659
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No