Information card for entry 4329242

Structure parameters

• Formula: C27 H47 Eu N6 Ni O16
• Calculated formula: C27 H47 Eu N6 Ni O16
• SMILES: [Ni]1234([O]5[Eu]6789%10([O](C)c%11c5c(cc(C)c%11)C[N]1(C)CC[N]2(C)CC[N]3(C)Cc1c(c(cc(C)c1)[O]8C)[O]47)(ON(=[O]9)=O)([O]=N(=O)O6)ON(=[O]%10)=O)[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: 10.6262 ± 0.0005 Å
• b: 17.6724 ± 0.0009 Å
• c: 20.0285 ± 0.001 Å
• α: 90°
• β: 102.548 ± 0.001°
• γ: 90°
• Cell volume: 3671.3 ± 0.3 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: 0.0468
• Residual factor for significantly intense reflections: 0.0391
• Weighted residual factors for significantly intense reflections: 0.094
• Weighted residual factors for all reflections included in the refinement: 0.0986
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No