Information card for entry 4325513

Structure parameters

• Formula: C25 H29 Gd N8 Ni O13
• Calculated formula: C25 H29 Gd N8 Ni O13
• SMILES: [Gd]123456([O](c7c8[O]1[Ni]19([O]3c3c([O]2C)cccc3C=[N]9CCC[N]1=Cc8ccc7)([N]#CC)[N]#CC)C)(ON(=[O]6)=O)([O]=N(=O)O4)ON(=[O]5)=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: 23.81 ± 0.0017 Å
• b: 10.4107 ± 0.0008 Å
• c: 13.208 ± 0.001 Å
• α: 90°
• β: 89.727 ± 0.009°
• γ: 90°
• Cell volume: 3273.9 ± 0.4 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.0552
• Residual factor for significantly intense reflections: 0.0457
• Weighted residual factors for significantly intense reflections: 0.1238
• Weighted residual factors for all reflections included in the refinement: 0.13
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No