Information card for entry 4334673

Structure parameters

• Formula: C39 H56 N17 O34 Y3
• Calculated formula: C39 H56 N17 O34 Y3
• SMILES: C1C[O]2CC[O]3CC[N]4=Cc5cccc[n]5[Y]567234([O]=N(O7)=O)([n]2ccccc2C=[N]15)ON(=[O]6)=O.C1C[O]2CC[N]3=Cc4cccc[n]4[Y]456823([n]2ccccc2C=[N]4CC[O]15)(ON(=[O]6)=O)ON(=[O]8)=O.C[OH][Y]123([O]=N(=O)O1)(ON(=[O]3)=O)(ON(=[O]2)=O)(ON(=O)=O)[OH]C.CO.N(=O)(=O)[O-]
• Title of publication: Subcomponent Self-Assembly of Rare-Earth Single-Molecule Magnets
• Authors of publication: Victoria E. Campbell; Régis Guillot; Eric Riviere; Pierre-Thomas Brun; Wolfgang Wernsdorfer; Talal Mallah
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 5194 - 5200
• a: 8.0457 ± 0.0009 Å
• b: 23.211 ± 0.003 Å
• c: 32.381 ± 0.004 Å
• α: 90°
• β: 94.444 ± 0.006°
• γ: 90°
• Cell volume: 6028.9 ± 1.3 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.2249
• Residual factor for significantly intense reflections: 0.0844
• Weighted residual factors for significantly intense reflections: 0.1783
• Weighted residual factors for all reflections included in the refinement: 0.238
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No