Information card for entry 4329235

Structure parameters

• Formula: C27 H40 N5 Ni O12 Y
• Calculated formula: C27 H40 N5 Ni O12 Y
• SMILES: [Ni]12345[O]6[Y]789%10([O](C)c%11c6c(cc(C)c%11)C[N]1(C)CC[N]2(C)CC[N]3(C)Cc1c(c(cc(C)c1)[O]9C)[O]58)(ON(=[O]%10)=O)(ON(=[O]7)=O)[O]=C(C)O4
• 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: 11.118 ± 0.005 Å
• b: 35.748 ± 0.005 Å
• c: 16.381 ± 0.005 Å
• α: 90 ± 0.005°
• β: 90 ± 0.005°
• γ: 90 ± 0.005°
• Cell volume: 6511 ± 4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0407
• Residual factor for significantly intense reflections: 0.0328
• Weighted residual factors for significantly intense reflections: 0.0775
• Weighted residual factors for all reflections included in the refinement: 0.0798
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No