Information card for entry 1100958

Structure parameters

• Formula: C20 H22 Er N5 Ni O13
• Calculated formula: C20 H22 Er N5 Ni O13
• SMILES: [Er]123456([O]7[Ni]89[N](=Cc%10c7c([O]3CC)ccc%10)CC[N]8=Cc3c(c([O]2CC)ccc3)[O]19)(ON(=O)=[O]4)(ON(=O)=[O]6)[O]=N(=O)O5
• 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: 8.601 ± 0.004 Å
• b: 13.71 ± 0.004 Å
• c: 21.252 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2506 ± 1.5 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: 0.0331
• Residual factor for significantly intense reflections: 0.0253
• Weighted residual factors for significantly intense reflections: 0.0607
• Weighted residual factors for all reflections included in the refinement: 0.0705
• Goodness-of-fit parameter for all reflections included in the refinement: 1.134
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No