Information card for entry 7043331

Structure parameters

• Formula: C30 H42 Dy2 N12 O14
• Calculated formula: C30 H42 Dy2 N12 O14
• SMILES: c1cccc2[n]1[Dy]13456([O]=C(C)O1)([O]=C(O[Dy]178([n]9ccccc9c9[n]1c(N)nc(N)n9)([O]=C(C)O7)([O]3C(=[O]8)C)([O]4C(=[O]5)C)[O]=C(O6)C)C)[n]1c2nc(nc1N)N.OC.OC
• Title of publication: Geometry and magnetic interaction modulations in dinuclear Dy2 single-molecule magnets
• Authors of publication: Guo, Mei; Xu, Yonghui; Wu, Jianfeng; Zhao, Lang; Tang, Jinkui
• Journal of publication: Dalton Trans.
• Year of publication: 2017
• a: 8.2957 ± 0.0012 Å
• b: 9.8138 ± 0.0014 Å
• c: 12.7158 ± 0.0018 Å
• α: 101.22 ± 0.003°
• β: 103.232 ± 0.003°
• γ: 104.948 ± 0.003°
• Cell volume: 937.6 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0753
• Residual factor for significantly intense reflections: 0.0572
• Weighted residual factors for significantly intense reflections: 0.1099
• Weighted residual factors for all reflections included in the refinement: 0.1192
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No