Information card for entry 7030753

Structure parameters

• Formula: C48 H55 Dy N12 O15
• Calculated formula: C48 H55 Dy N12 O15
• SMILES: C1(c2ccccc2)=N[N]2=C(C)c3cccc4C(=[N]5NC(c6ccccc6)=[O][Dy]678925([n]34)([N](=C(C)c2cccc(C(C)=[N]7NC(c3ccccc3)=[O]9)[n]62)NC(c2ccccc2)=[O]8)O1)C.C(C)O.N(=O)(=O)[O-].N(=O)(=O)[O-].O.O.O.O
• Title of publication: Chemical tuning of the magnetic relaxation in dysprosium(iii) mononuclear complexes.
• Authors of publication: Batchelor, Luke J.; Cimatti, Irene; Guillot, Régis; Tuna, Floriana; Wernsdorfer, Wolfgang; Ungur, Liviu; Chibotaru, Liviu F.; Campbell, Victoria E.; Mallah, Talal
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 32
• Pages of publication: 12146 - 12149
• a: 11.507 ± 0.004 Å
• b: 12.912 ± 0.005 Å
• c: 17.853 ± 0.005 Å
• α: 97.274 ± 0.004°
• β: 100.839 ± 0.005°
• γ: 102.255 ± 0.005°
• Cell volume: 2507.3 ± 1.5 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0233
• Residual factor for significantly intense reflections: 0.0212
• Weighted residual factors for significantly intense reflections: 0.054
• Weighted residual factors for all reflections included in the refinement: 0.056
• Goodness-of-fit parameter for all reflections included in the refinement: 1.119
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No