Information card for entry 4329241

Structure parameters

• Formula: C27 H43 Gd N6 Ni O16
• Calculated formula: C27 H43 Gd N6 Ni O16
• SMILES: [Ni]1234([N]5(Cc6c7c(cc(c6)C)[O]([Gd]689%10([O]37)([O]4c3c(C[N]2(CC[N]1(CC5)C)C)cc(cc3[O]6C)C)(ON(=[O]8)=O)(ON(=[O]%10)=O)[O]=N(=O)O9)C)C)[OH2].CO.CO
• Title of publication: Family of Carboxylate- and Nitrate-diphenoxo Triply Bridged Dinuclear NiIILnIII Complexes (Ln = Eu, Gd, Tb, Ho, Er, Y): Synthesis, Experimental and Theoretical Magneto-Structural Studies, and Single-Molecule Magnet Behavior
• Authors of publication: Enrique Colacio; José Ruiz; Antonio J. Mota; María A. Palacios; Eduard Cremades; Eliseo Ruiz; Fraser J. White; Euan K. Brechin
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 5857 - 5868
• a: 10.55 ± 0.005 Å
• b: 17.526 ± 0.005 Å
• c: 20.027 ± 0.005 Å
• α: 90 ± 0.005°
• β: 102.079 ± 0.005°
• γ: 90 ± 0.005°
• Cell volume: 3621 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.0693
• Residual factor for significantly intense reflections: 0.0494
• Weighted residual factors for significantly intense reflections: 0.1163
• Weighted residual factors for all reflections included in the refinement: 0.1274
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No