Information card for entry 4349010

Structure parameters

• Common name: Compound3b
• Formula: C46 H48 Gd2 N2 O14
• Calculated formula: C46 H46 Gd2 N2 O14
• SMILES: c12c3cccc2[O](C)[Gd]2456([O]1[Gd]178([N](=Cc9cccc(OC)c9O1)c1ccccc1O7)([O]3C)(OC)[O](C)c1c(c(ccc1)[O]5C)[O]48)([N](=Cc1cccc(OC)c1O6)c1ccccc1O2)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: 8.601 ± 0.002 Å
• b: 20.178 ± 0.004 Å
• c: 25.138 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4362.7 ± 1.6 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: 0.0663
• Residual factor for significantly intense reflections: 0.0397
• Weighted residual factors for significantly intense reflections: 0.1041
• Weighted residual factors for all reflections included in the refinement: 0.1238
• Goodness-of-fit parameter for all reflections included in the refinement: 0.794
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No