Information card for entry 7033723

Structure parameters

• Formula: C45 H22 F18 N4 Nd2 O9
• Calculated formula: C45 H22 F18 N4 Nd2 O9
• SMILES: C(C1=CC2=CC(C(F)(F)F)=[O][Nd]34567([n]8cccc9c8c8c(cc9)ccc[n]38)[O]2[Nd]238([n]9c%10c%11c(ccc[n]3%11)ccc%10ccc9)(O1)(OC(=CC(=CC(C(F)(F)F)=[O]6)[O]58)C(F)(F)F)OC(=CC(=CC(C(F)(F)F)=[O]4)[O]27)C(F)(F)F)(F)(F)F
• Title of publication: Employment of triketones to construct a dysprosium(iii) single-molecule magnet.
• Authors of publication: Wang, Chao; Lin, Shuang-Yan; Wu, Jianfeng; Yuan, Sen-Wen; Tang, Jinkui
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 10
• Pages of publication: 4648 - 4654
• a: 11.241 ± 0.002 Å
• b: 11.485 ± 0.002 Å
• c: 21.149 ± 0.004 Å
• α: 75.515 ± 0.003°
• β: 74.784 ± 0.004°
• γ: 67.553 ± 0.003°
• Cell volume: 2400.4 ± 0.8 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0506
• Residual factor for significantly intense reflections: 0.0332
• Weighted residual factors for significantly intense reflections: 0.0688
• Weighted residual factors for all reflections included in the refinement: 0.0787
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No