Information card for entry 4334672

Structure parameters

• Formula: C19 H26 Er N7 O12
• Calculated formula: C19 H26 Er N7 O12
• SMILES: c1cccc2C=[N]3CC[O]4CC[O]5CC[N]6=Cc7cccc[n]7[Er]783456([n]12)(ON(=[O]7)=O)ON(=[O]8)=O.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: 7.9429 ± 0.0005 Å
• b: 11.9438 ± 0.0006 Å
• c: 13.857 ± 0.0008 Å
• α: 91.998 ± 0.001°
• β: 95.893 ± 0.002°
• γ: 94.797 ± 0.001°
• Cell volume: 1301.81 ± 0.13 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: 0.0388
• Residual factor for significantly intense reflections: 0.0296
• Weighted residual factors for significantly intense reflections: 0.0676
• Weighted residual factors for all reflections included in the refinement: 0.0736
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No