Information card for entry 7044351

Structure parameters

• Formula: C36 H27 Co Dy N9 O12
• Calculated formula: C36 H27 Co Dy N9 O12
• SMILES: c1cccc2C(=[N]3[Co]456([n]12)[n]1ccccc1C(c1ccccc1)=[N]5O[Dy]125(O3)([O]=N(=O)O1)(O[N]6=C(c1cccc[n]41)c1ccccc1)([O]=N(=O)O2)[O]=N(=O)O5)c1ccccc1
• 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: 11.2364 ± 0.0002 Å
• b: 11.2364 ± 0.0002 Å
• c: 55.6273 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 6082.37 ± 0.19 ų
• Cell temperature: 160 ± 2 K
• Ambient diffraction temperature: 160 ± 2 K
• Number of distinct elements: 6
• Space group number: 161
• Hermann-Mauguin space group symbol: R 3 c :H
• Hall space group symbol: R 3 -2"c
• Residual factor for all reflections: 0.043
• Residual factor for significantly intense reflections: 0.0423
• Weighted residual factors for significantly intense reflections: 0.1126
• Weighted residual factors for all reflections included in the refinement: 0.1145
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No