Information card for entry 7714851

Structure parameters

• Formula: C36 H51 Cu Dy N2 O11
• Calculated formula: C36 H51 Cu Dy N2 O11
• SMILES: [Dy]123456([O]7[Cu]89([O]1c1c([O]2C)cc(cc1C=[N]8CC(O)C[N]9=Cc1c7c([O]4C)cc(c1)C)C)[O]=C(O5)C(C)(C)C)([O]=C(O6)C(C)(C)C)[O]=C(O3)C(C)(C)C
• Title of publication: Insight into ferromagnetic interactions in Cu^II-Ln^III dimers with a compartmental ligand.
• Authors of publication: Panja, Anangamohan; Paul, Sagar; Moreno-Pineda, Eufemio; Herchel, Radovan; Jana, Narayan Ch; Brandão, Paula; Novitchi, Ghenadie; Wernsdorfer, Wolfgang
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2024
• Journal volume: 53
• Journal issue: 6
• Pages of publication: 2501 - 2511
• a: 11.6733 ± 0.0008 Å
• b: 13.8531 ± 0.001 Å
• c: 13.9469 ± 0.001 Å
• α: 76.134 ± 0.002°
• β: 65.37 ± 0.002°
• γ: 68.404 ± 0.002°
• Cell volume: 1896.3 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0423
• Residual factor for significantly intense reflections: 0.0307
• Weighted residual factors for significantly intense reflections: 0.0699
• Weighted residual factors for all reflections included in the refinement: 0.0739
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No