Information card for entry 4349017

Structure parameters

• Common name: Compound2a
• Formula: C54 H56 Dy2 N2 O14
• Calculated formula: C54 H54 Dy2 N2 O14
• SMILES: c12ccccc1[N]1=Cc3c4ccccc4ccc3O[Dy]3451(O2)(OC)[O](C)c1c2[O]3[Dy]367([O](c2ccc1)C)([N](c1c(cccc1)O3)=Cc1c2ccccc2ccc1O7)(OC)[O](C)c1cccc([O]5C)c1[O]46.OC.OC
• Title of publication: Influence of Tuned Linker Functionality on Modulation of Magnetic Properties and Relaxation Dynamics in a Family of Six Isotypic Ln₂ (Ln = Dy and Gd) Complexes.
• Authors of publication: Mukherjee, Soumya; Lu, Jingjing; Velmurugan, Gunasekaran; Singh, Shweta; Rajaraman, Gopalan; Tang, Jinkui; Ghosh, Sujit K.
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 21
• Pages of publication: 11283 - 11298
• a: 8.895 ± 0.004 Å
• b: 12.546 ± 0.006 Å
• c: 22.112 ± 0.01 Å
• α: 90°
• β: 93.835 ± 0.01°
• γ: 90°
• Cell volume: 2462 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.0418
• Residual factor for significantly intense reflections: 0.0363
• Weighted residual factors for significantly intense reflections: 0.1021
• Weighted residual factors for all reflections included in the refinement: 0.1154
• Goodness-of-fit parameter for all reflections included in the refinement: 0.896
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No