Information card for entry 7044226

Structure parameters

• Formula: C23 H41 Co2 N16 O2
• Calculated formula: C23 H41 Co2 N16 O2
• SMILES: c12c3cc(cc1C=[N]1CC[N](CC)(CC)[Co]41(N=N#N)(N=N#N)[N]([Co]1([N](=C3)CC[N]1(CC)CC)(N=N#N)[O]24)=N#N)CC.CO
• Title of publication: Syntheses, crystal structures and magnetic properties of two mixed-valence Co(III)Co(II) compounds derived from Schiff base ligands: Field supported single-ion-magnet behaviour with easy plane anisotropy
• Authors of publication: Mandal, Shuvankar; Mondal, Suraj; Rajnak, Cyril; Titis, Jan; Boca, Roman; Mohanta, Sasankasekhar
• Journal of publication: Dalton Trans.
• Year of publication: 2017
• a: 8.6745 ± 0.0014 Å
• b: 13.701 ± 0.002 Å
• c: 26.368 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3133.8 ± 0.8 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0595
• Residual factor for significantly intense reflections: 0.0484
• Weighted residual factors for significantly intense reflections: 0.1308
• Weighted residual factors for all reflections included in the refinement: 0.1387
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No