Information card for entry 7223609

Structure parameters

• Formula: C40 H43 Br Co Mn N6 O6
• Calculated formula: C40 H43 Br Co Mn N6 O6
• SMILES: c12c(cccc1C=[N]1CC[NH]3CCC[N]4=Cc5cccc(c5O[Co]134(C#[N][Mn]134([N](=Cc5c(cccc5)O3)CC[N]1=Cc1ccccc1O4)Br)O2)OCC)OCC
• Title of publication: Field-induced slow relaxation of magnetization in dinuclear and trinuclear CoIII•••MnIII complexes
• Authors of publication: Nemec, Ivan; Herchel, Radovan; Travnicek, Zdenek; Silha, Tomas
• Journal of publication: RSC Adv.
• Year of publication: 2015
• a: 8.5862 ± 0.0003 Å
• b: 19.6159 ± 0.0008 Å
• c: 11.3835 ± 0.0004 Å
• α: 90°
• β: 100.884 ± 0.004°
• γ: 90°
• Cell volume: 1882.79 ± 0.12 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0376
• Residual factor for significantly intense reflections: 0.0297
• Weighted residual factors for significantly intense reflections: 0.056
• Weighted residual factors for all reflections included in the refinement: 0.0574
• Goodness-of-fit parameter for all reflections included in the refinement: 0.933
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No