Information card for entry 4325510

Structure parameters

• Formula: C25 H29 Er N8 Ni O13
• Calculated formula: C25 H29 Er N8 Ni O13
• SMILES: [N]12=Cc3cccc4c3[O]3[Er]5678([O]4C)([O]4c9c(C=[N](CCC1)[Ni]234([N]#CC)[N]#CC)cccc9[O]5C)(ON(=[O]6)=O)(ON(=[O]7)=O)ON(=[O]8)=O.N#CC
• Title of publication: Preparation, Crystal Structures, and Magnetic Features for a Series of Dinuclear [NiIILnIII] Schiff-Base Complexes: Evidence for Slow Relaxation of the Magnetization for the DyIII Derivative
• Authors of publication: Traian D. Pasatoiu; Jean-Pascal Sutter; Augustin M. Madalan; Fatima Zohra Chiboub Fellah; Carine Duhayon; Marius Andruh
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 5890 - 5898
• a: 13.1659 ± 0.0004 Å
• b: 10.4172 ± 0.0003 Å
• c: 23.6189 ± 0.0006 Å
• α: 90°
• β: 91.144 ± 0.001°
• γ: 90°
• Cell volume: 3238.73 ± 0.16 ų
• Cell temperature: 180 K
• Ambient diffraction temperature: 180 K
• Number of distinct elements: 6
• 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: 0.0425
• Residual factor for significantly intense reflections: 0.0279
• Weighted residual factors for all reflections: 0.0323
• Weighted residual factors for significantly intense reflections: 0.0247
• Weighted residual factors for all reflections included in the refinement: 0.0236
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0973
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No