Information card for entry 7711748

Structure parameters

• Formula: C57 H75 Dy2 N5 O11
• Calculated formula: C57 H75 Dy2 N5 O11
• SMILES: [Dy]12345([O]6[Dy]789([O]1c1c([N]4=Cc4[n]5cccc4)cccc1)(OC(=CC(=[O]7)C(C)(C)C)C(C)(C)C)([O]=C(C=C(O8)C(C)(C)C)C(C)(C)C)[N](=Cc1[n]9cccc1)c1c6cccc1)([O]=C(C=C(O2)C(C)(C)C)C(C)(C)C)[O]=N(=O)O3
• Title of publication: Interplay between anisotropy and magnetic exchange to modulate magnetic relaxation behaviors of phenoxo bridged Dy2 dimers with axial β-diketonate co-ligands
• Authors of publication: Roy, Soumalya; Shukla, Pooja; Ahmed, Naushad; Du, Ming-Hao; Tarannum, Ibtesham; Kong, Xiang-Jian; Gupta, Tulika; Singh, Saurabh Kumar Kumar; Das, Sourav
• Journal of publication: Dalton Transactions
• Year of publication: 2022
• a: 13.2636 ± 0.0018 Å
• b: 35.219 ± 0.005 Å
• c: 13.709 ± 0.002 Å
• α: 90°
• β: 97.401 ± 0.003°
• γ: 90°
• Cell volume: 6350.5 ± 1.6 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150.01 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0608
• Residual factor for significantly intense reflections: 0.0571
• Weighted residual factors for significantly intense reflections: 0.1226
• Weighted residual factors for all reflections included in the refinement: 0.125
• Goodness-of-fit parameter for all reflections included in the refinement: 1.21
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No