Information card for entry 1573830

Structure parameters

• Formula: C28 H24 Co N2 O2
• Calculated formula: C28 H24 Co N2 O2
• SMILES: c12ccccc1C=[N]([Co]1(O2)[N](=Cc2c(cccc2)O1)c1ccc(cc1)C)c1ccc(cc1)C
• Title of publication: THz-EPR-based Magneto-Structural Correlations for Cobalt(II) Single-Ion Magnets With Bis-Chelate Coordination
• Authors of publication: Maximilian H. Pohle; Thomas Lohmiller; Michael Böhme; Michał Rams; Sven Ziegenbalg; Helmar Görls; Alexander Schnegg; Winfried Plass
• Journal of publication: Chemistry - A European Journal
• Year of publication: 2024
• Journal volume: 30
• Journal issue: 60
• Pages of publication: e202401545(1) - e202401545(14)
• a: 22.0247 ± 0.0009 Å
• b: 8.4669 ± 0.0003 Å
• c: 11.8644 ± 0.0005 Å
• α: 90°
• β: 95.495 ± 0.003°
• γ: 90°
• Cell volume: 2202.32 ± 0.15 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0357
• Residual factor for significantly intense reflections: 0.0316
• Weighted residual factors for significantly intense reflections: 0.0721
• Weighted residual factors for all reflections included in the refinement: 0.0742
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No