Information card for entry 7056678

Structure parameters

• Formula: C32 H115 Dy Ge2 Mo22 N8 O101
• Calculated formula: C24 H56 Dy Ge2 Mo22 N6 O84
• SMILES: O1[Mo]234(O[Mo]567([O]82[Ge]29[O]%10[Mo]%11%12(O3)(O[Mo]3%13%10(O[Mo]%10%14%15(O[Mo]%16%17([O]2%14[Mo](O4)(O%11)(O%16)(O%15)=O)(O[Mo]24(O[Mo]18(O7)(=O)O%17)([O]19[Mo](O%10)(O[Mo]1(O6)(O2)(=O)O[Dy]126(O5)(O[Mo]578([O]9[Ge]%10%11[O]%14%15[Mo]%16%17(O7)(O[Mo]7%18%14(O[Mo]%14%19%20([O]%21%10[Mo]%10(O[Mo]9(O1)(O[Mo]19(O[Mo]%22(O[Mo]%15(O2)(=O)(O7)O%16)(O[Mo](O1)(=O)(O%20)([O]%119%22)O%18)(O6)=O)(=O)O%10)(O5)=O)(O%19)(=O)O[Mo]%21(O%14)(O8)(O%17)=O)=O)=O)=O)=O)(O%12)O3)(=O)(O4)O%13)=O)=O)=O)=O)=O)=O)=O.O1CC[NH2+]CC1.O1CC[NH2+]CC1.O1CC[NH2+]CC1.O1CC[NH2+]CC1.C1C[NH2+]CCO1.C1COCC[NH2+]1
• Title of publication: New series of mononuclear lanthanide single molecule magnets based on sandwich-type germanomolybdates [Ln(GeMo11O39)2]13- (Ln = ErIII, GdIII, DyIII or TbIII)
• Authors of publication: Jin, Zhanbin; Bai, Jie; Wei, Tingting; Li, Fengyan; Song, Chunli; Luo, Xinze; Xu, Lin
• Journal of publication: New J. Chem.
• Year of publication: 2017
• Journal volume: 41
• Journal issue: 22
• Pages of publication: 13490 - 13494
• a: 13.2127 ± 0.0003 Å
• b: 12.7291 ± 0.0003 Å
• c: 32.5182 ± 0.001 Å
• α: 90°
• β: 96.158 ± 0.002°
• γ: 90°
• Cell volume: 5437.5 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 n 1
• Hall space group symbol: P -2yac
• Residual factor for all reflections: 0.0417
• Residual factor for significantly intense reflections: 0.0399
• Weighted residual factors for significantly intense reflections: 0.111
• Weighted residual factors for all reflections included in the refinement: 0.1129
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No