Information card for entry 7056679

Structure parameters

• Formula: C32 H113 Ge2 Mo22 N8 O100 Tb
• Calculated formula: C28 H56 Ge2 Mo22 N7 O85 Tb
• SMILES: [O]12[Ge]34[O]56[Mo]789(O[Mo]%10%11%12(O[Mo]%13%14%15([O]3%10[Mo]3(=O)(O[Mo]%10%16%17(O[Mo]%182(O[Mo]21(O[Mo]5(O7)(O%14)(O[Mo]16(O[Mo]5(O[Mo](O%10)(=O)([O]4%165)(O%11)O9)(O%17)([O][Tb]456([O]%18)(O2)(O1)O[Mo]127(O[Mo]9%10(=O)([O]%11%14[Ge]%16%17[O]%187[Mo]7%19(O1)(O[Mo]1%14(O9)(=O)O[Mo]9%11(O[Mo]%11%14(O4)(O[Mo]4(O5)(=O)([O]%16%11)O[Mo]%18(O2)(=O)(O[Mo]25(O[Mo]%11([O]%175[Mo](O%14)(O9)(O2)(=O)O%11)(O1)(=O)O7)(=O)O4)O%19)=O)(=O)O%10)=O)O6)=O)=O)(O8)=O)=O)(O%13)=O)(O3)=O)=O)(O%12)O%15)=O)=O)=O.O1CC[NH2+]CC1.O1CC[NH2+]CC1.O1CC[NH2+]CC1.O1CC[NH2+]CC1.O1CC[NH2+]CC1.O1CC[NH2+]CC1.O1CC[NH2+]CC1
• 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: 13.2174 ± 0.0006 Å
• b: 12.7175 ± 0.0006 Å
• c: 32.4095 ± 0.0014 Å
• α: 90°
• β: 96.294 ± 0.004°
• γ: 90°
• Cell volume: 5415 ± 0.4 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: 0.0382
• Residual factor for significantly intense reflections: 0.0363
• Weighted residual factors for significantly intense reflections: 0.0962
• Weighted residual factors for all reflections included in the refinement: 0.0977
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No