Information card for entry 1100955

Structure parameters

• Formula: C20 H22 N5 Nd Ni O13
• Calculated formula: C20 H22 N5 Nd Ni O13
• SMILES: [Nd]123456([O]7[Ni]89[O]1c1c([O]2CC)cccc1C=[N]8CC[N]9=Cc1c7c([O]6CC)ccc1)([O]=N(=O)O4)(ON(=[O]5)=O)ON(=[O]3)=O
• Title of publication: Syntheses, Structures, and Magnetic Properties of Diphenoxo-Bridged MIILnIII Complexes Derived from N,N'-Ethylenebis(3-ethoxysalicylaldiimine) (M = Cu or Ni; Ln = Ce-Yb): Observation of Surprisingly Strong Exchange Interactions
• Authors of publication: Rajesh Koner; Hsin-Huang Lin; Ho-Hsiang Wei; Sasankasekhar Mohanta
• Journal of publication: Inorganic Chemistry
• Year of publication: 2005
• Journal volume: 44
• Pages of publication: 3524 - 3536
• a: 8.6215 ± 0.0015 Å
• b: 13.776 ± 0.004 Å
• c: 21.179 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2515.4 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0389
• Residual factor for significantly intense reflections: 0.029
• Weighted residual factors for significantly intense reflections: 0.0689
• Weighted residual factors for all reflections included in the refinement: 0.0762
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No