Information card for entry 7025151

Structure parameters

• Formula: C52 H46 Dy2 N8 Ni2 O32
• Calculated formula: C52 H46 Dy2 N8 Ni2 O32
• SMILES: C[O]1c2cccc3c2[O]2[Dy]4561([n]1c(C(=O)O6)cccc1C(=O)O4)([O]1[Ni]42([N](=C3)CCC[N]4=Cc2cccc(c12)[O]5C)([OH2])[OH2])([OH2])[O]=C1c2cccc3C(=O)O[Dy]456([n]23)([O]2[Ni]37([N](=Cc8cccc(c28)[O]4C)CCC[N]3=Cc2cccc(c2[O]67)[O]5C)([OH2])ON(=O)=O)(O1)([OH2])[OH2].N(=O)(=O)[O-].O.O.O.O
• Title of publication: Dimers and chains of {3d‒4f} single molecule magnets constructed from heterobimetallic tectons
• Authors of publication: Pasatoiu, Traian D.; Etienne, Mael; Madalan, Augustin M.; Andruh, Marius; Sessoli, Roberta
• Journal of publication: Dalton Transactions
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 20
• Pages of publication: 4802
• a: 19.3054 ± 0.0006 Å
• b: 15.4938 ± 0.0003 Å
• c: 21.6876 ± 0.0007 Å
• α: 90°
• β: 98.176 ± 0.002°
• γ: 90°
• Cell volume: 6421.1 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0846
• Residual factor for significantly intense reflections: 0.0507
• Weighted residual factors for significantly intense reflections: 0.0977
• Weighted residual factors for all reflections included in the refinement: 0.1068
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No