Information card for entry 4335248

Structure parameters

• Formula: C22 H27 Gd N4 Ni O12
• Calculated formula: C22 H27 Gd N4 Ni O12
• Title of publication: Carbonato-Bridged NiII2LnIII2 (LnIII= GdIII, TbIII, DyIII) Complexes Generated by Atmospheric CO2 Fixation and Their Single-Molecule-Magnet Behavior: [(μ4-CO3)2{NiII(3-MeOsaltn)(MeOH or H2O)LnIII(NO3)}2].solvent [3-MeOsaltn =N,N'-Bis(3-methoxy-2-oxybenzylidene)-1,3-propanediaminato]
• Authors of publication: Soichiro Sakamoto; Takeshi Fujinami; Koshiro Nishi; Naohide Matsumoto; Naotaka Mochida; Takayuki Ishida; Yukinari Sunatsuki; Nazzareno Re
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 7218 - 7229
• a: 12.3577 ± 0.0007 Å
• b: 12.5279 ± 0.0006 Å
• c: 17.2961 ± 0.0008 Å
• α: 90°
• β: 101.172 ± 0.0014°
• γ: 90°
• Cell volume: 2627 ± 0.2 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.0349
• Weighted residual factors for all reflections included in the refinement: 0.119
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No