Information card for entry 4329236

Structure parameters

• Formula: C27 H40 N5 Ni O12 Tb
• Calculated formula: C27 H40 N5 Ni O12 Tb
• SMILES: [Tb]123456([O]7[Ni]89%10([O]2c2c(cc(C)cc2[O]1C)C[N]%10(C)CC[N]8(C)CC[N]9(C)Cc1c7c([O]4C)cc(C)c1)[O]=C(C)O5)([O]=N(O3)=O)ON(=[O]6)=O
• 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: 11.4079 ± 0.0013 Å
• b: 14.7065 ± 0.0017 Å
• c: 19.389 ± 0.002 Å
• α: 92.451 ± 0.006°
• β: 98.325 ± 0.006°
• γ: 91.234 ± 0.006°
• Cell volume: 3214.4 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0451
• Residual factor for significantly intense reflections: 0.0338
• Weighted residual factors for significantly intense reflections: 0.0709
• Weighted residual factors for all reflections included in the refinement: 0.0769
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No