Information card for entry 7056677

Structure parameters

• Formula: C32 H111 Gd Ge2 Mo22 N8 O99
• Calculated formula: C28 H68 Gd Ge2 Mo22 N7 O85
• SMILES: O1[Mo]234(O[Mo]567(O[Mo]89(O[Mo]%10%11%12([O]%13[Ge]%14([O]%15%16[Mo]%17%18(O[Mo]%19%20(O[Mo]%21%22(O[Mo]%23%13(O[Gd]%13%24%25(O%10)(O[Mo]%10%26%27(O[Mo]%28%29(O%13)(O[Mo]%13%30%31(O[Mo]%32%33(O%24)([O]%24%13[Ge]%13([O]%34%35[Mo]%36%37(O[Mo]%38%39(O[Mo]%40(O%33)(=O)(O[Mo]%33(O[Mo]%24(O%32)(=O)(O%31)O[Mo]%35(O%36)(O%33)(=O)O[Mo]%34(O%37)(O%30)(O%29)=O)([O]%13%38%40)(O%39)=O)O%25)(O%27)=O)(=O)O%10)[O]%26%28)=O)=O)=O)=O)(O[Mo]1%16(=O)(O%18)O[Mo]%15(O%17)(O%23)(O%21)=O)O4)(O%11)=O)([O]%14%19[Mo](O9)(O%20)(O%12)(O%22)=O)=O)(O5)=O)(O7)=O)[O]268)=O)(=O)O3)=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: 13.2175 ± 0.0003 Å
• b: 12.7258 ± 0.0004 Å
• c: 32.5224 ± 0.001 Å
• α: 90°
• β: 96.203 ± 0.003°
• γ: 90°
• Cell volume: 5438.3 ± 0.3 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: 0.0409
• Residual factor for significantly intense reflections: 0.0391
• Weighted residual factors for significantly intense reflections: 0.1007
• Weighted residual factors for all reflections included in the refinement: 0.1023
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No