Information card for entry 4349008

Structure parameters

• Common name: Compound3a
• Formula: C46 H48 Dy2 N2 O14
• Calculated formula: C46 H46 Dy2 N2 O14
• SMILES: c12c(cccc1C=[N]1[Dy]345(O2)(OC)([O](C)c2cccc6[O](C)[Dy]789([N](=Cc%10c(c(ccc%10)OC)O8)c8ccccc8O9)(OC)([O](C)c8cccc([O]5C)c8[O]47)[O]3c26)Oc2c1cccc2)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: 8.5275 ± 0.0015 Å
• b: 20.048 ± 0.003 Å
• c: 25.023 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4277.9 ± 1.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0985
• Residual factor for significantly intense reflections: 0.0556
• Weighted residual factors for significantly intense reflections: 0.1141
• Weighted residual factors for all reflections included in the refinement: 0.1329
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No