Information card for entry 4329244

Structure parameters

• Formula: C61 H64 Dy N7 Ni O11
• Calculated formula: C61 H64 Dy N7 Ni O11
• SMILES: [Dy]123456([O]7[Ni]89%10([O]2c2c([O]1C)cc(cc2C[N]8(C)CC[N]9(C)CC[N]%10(Cc1c7c([O]6C)cc(c1)C)C)C)OC(=[O]3)c1c2c(cc3c1cccc3)cccc2)(OC(=[O]4)c1c2c(cccc2)cc2c1cccc2)[O]=N(O5)=O.N#CC.C(#N)C.N#CC
• 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: 22.497 ± 0.005 Å
• b: 12.769 ± 0.005 Å
• c: 19.788 ± 0.005 Å
• α: 90 ± 0.005°
• β: 90 ± 0.005°
• γ: 90 ± 0.005°
• Cell volume: 5684 ± 3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0481
• Residual factor for significantly intense reflections: 0.0365
• Weighted residual factors for significantly intense reflections: 0.0701
• Weighted residual factors for all reflections included in the refinement: 0.0731
• Goodness-of-fit parameter for all reflections included in the refinement: 0.933
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No