Information card for entry 7044353

Structure parameters

• Formula: C21 H30 Co Dy N12 O15
• Calculated formula: C21 H30 Co Dy N12 O15
• SMILES: c1cccc2C(=[N]3[Co]456([n]12)[n]1ccccc1C(=[N]5O[Dy]125(O3)(O[N]6=C(c3cccc[n]43)N)([O]=N(=O)O1)([O]=N(=O)O2)[O]=N(=O)O5)N)N.OC.CO.CO
• Title of publication: “Switching on” the single-molecule magnet properties within a series of dinuclear cobalt(III)-dysprosium(III) 2-pyridyloximate complexes
• Authors of publication: Perlepes, Spyros P.; Polyzou, Christina D.; Koumousi, Evangelia S.; Lada, Zoi G.; Raptopoulou, Catherine P.; Psycharis, Vassilis; Rouzieres, Mathieu; Tsipis, Athanassios C.; Mathoniere, Corine; Clerac, Rodolphe
• Journal of publication: Dalton Trans.
• Year of publication: 2017
• a: 16.5137 ± 0.0001 Å
• b: 16.5137 ± 0.0001 Å
• c: 20.9946 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 4958.23 ± 0.13 ų
• Cell temperature: 160 ± 2 K
• Ambient diffraction temperature: 160 ± 2 K
• Number of distinct elements: 6
• Space group number: 165
• Hermann-Mauguin space group symbol: P -3 c 1
• Hall space group symbol: -P 3 2"c
• Residual factor for all reflections: 0.0355
• Residual factor for significantly intense reflections: 0.0309
• Weighted residual factors for significantly intense reflections: 0.0866
• Weighted residual factors for all reflections included in the refinement: 0.0891
• Goodness-of-fit parameter for all reflections included in the refinement: 1.119
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No