Information card for entry 4349023

Structure parameters

• Formula: C44 H44 Dy2 N2 O12
• Calculated formula: C44 H42 Dy2 N2 O12
• SMILES: c12c(cccc1)[N]1=Cc3ccccc3O[Dy]3451([O](C)c1cccc6[O](C)[Dy]789([N](c%10c(cccc%10)O8)=Cc8ccccc8O9)([O]4c16)([O]5c1c([O]3C)cccc1[O]7C)OC)(O2)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: 8.637 ± 0.0011 Å
• b: 14.4827 ± 0.0018 Å
• c: 17.3 ± 0.002 Å
• α: 90°
• β: 101.278 ± 0.002°
• γ: 90°
• Cell volume: 2122.2 ± 0.5 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: 0.0507
• Residual factor for significantly intense reflections: 0.0305
• Weighted residual factors for significantly intense reflections: 0.0708
• Weighted residual factors for all reflections included in the refinement: 0.0725
• Goodness-of-fit parameter for all reflections included in the refinement: 2.169
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No