Information card for entry 4325511

Structure parameters

• Formula: C48 H63 Ce2 N15 Ni2 O30
• Calculated formula: C48 H63 Ce2 N15 Ni2 O30
• SMILES: [N]12=Cc3cccc4[O]([Ce]5678([O](c34)[Ni]32([N](CCC1)=Cc1cccc([O]6C)c1[O]53)([N]#CC)[OH2])(ON(=[O]7)=O)(ON(=[O]8)=O)([OH2])[OH2])C.N#CC.N#CC.N(=O)(=O)[O-].[N]12=Cc3cccc4[O]([Ce]5678([O](c34)[Ni]32([N](CCC1)=Cc1cccc([O]6C)c1[O]53)([N]#CC)[N]#CC)([O]=N(=O)O7)(ON(=O)=O)(ON(=[O]8)=O)[OH2])C
• 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: 17.9538 ± 0.0006 Å
• b: 11.3152 ± 0.0004 Å
• c: 32.2403 ± 0.0011 Å
• α: 90°
• β: 90.983 ± 0.003°
• γ: 90°
• Cell volume: 6548.7 ± 0.4 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: 0.0694
• Residual factor for significantly intense reflections: 0.0489
• Weighted residual factors for all reflections: 0.0448
• Weighted residual factors for significantly intense reflections: 0.0394
• Weighted residual factors for all reflections included in the refinement: 0.0381
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No