Information card for entry 1573848

Structure parameters

• Formula: C40 H36 Co N2 O4
• Calculated formula: C40 H36 Co N2 O4
• SMILES: [Co]12(Oc3ccccc3C=[N]1c1ccccc1c1ccccc1)Oc1ccccc1C=[N]2c1ccccc1c1ccccc1.OC.OC
• Title of publication: Magnetic Anisotropy and Relaxation of Pseudotetrahedral [N~2~O~2~] Bis-Chelate Cobalt(II) Single-Ion Magnets Controlled by Dihedral Twist Through Solvomorphism
• Authors of publication: Maximilian H. Pohle; Michael Böhme; Thomas Lohmiller; Sven Ziegenbalg; Louis Blechschmidt; Helmar Görls; Alexander Schnegg; Winfried Plass
• Journal of publication: Chemistry - A European Journal
• Year of publication: 2023
• Journal volume: 29
• Journal issue: 14
• Pages of publication: e202202966(1) - e202202966(7)
• a: 12.5799 ± 0.0004 Å
• b: 19.2608 ± 0.0005 Å
• c: 13.4268 ± 0.0004 Å
• α: 90°
• β: 91.048 ± 0.001°
• γ: 90°
• Cell volume: 3252.76 ± 0.16 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0942
• Residual factor for significantly intense reflections: 0.0723
• Weighted residual factors for significantly intense reflections: 0.184
• Weighted residual factors for all reflections included in the refinement: 0.2072
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No