Information card for entry 7020542

Structure parameters

• Formula: C29 H29 Dy F9 N4 O8
• Calculated formula: C29 H29 Dy F9 N4 O8
• SMILES: [Dy]1234([O]=[N]5C(C(N(=O)=C5c5[nH]c6c([n]45)cccc6)(C)C)(C)C)([O]=C(C=C(O3)C)C(F)(F)F)([O]=C(C=C(O1)C(F)(F)F)C)[O]=C(C)C=C(O2)C(F)(F)F
• Title of publication: Single-molecule magnets based on rare earth complexes with chelating benzimidazole-substituted nitronyl nitroxide radicals.
• Authors of publication: Hu, Peng; Zhu, Mei; Mei, Xuelan; Tian, Haixia; Ma, Yue; Li, Licun; Liao, Daizheng
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 48
• Pages of publication: 14651 - 14656
• a: 19.763 ± 0.004 Å
• b: 21.816 ± 0.004 Å
• c: 16.48 ± 0.003 Å
• α: 90°
• β: 90.86 ± 0.03°
• γ: 90°
• Cell volume: 7105 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0913
• Residual factor for significantly intense reflections: 0.0683
• Weighted residual factors for significantly intense reflections: 0.1667
• Weighted residual factors for all reflections included in the refinement: 0.1852
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No