Information card for entry 4344822

Structure parameters

• Formula: C28 H32 Dy2 N10 O14
• Calculated formula: C28 H32 Dy2 N10 O14
• SMILES: N1(=[O][Dy]23456(O1)([n]1ccccc1C[N]2(Cc1[n]3cccc1)CC[O]4[Dy]12347([n]8ccccc8C[N]1(Cc1[n]2cccc1)CC[O]53)(ON(=O)=[O]4)[O]=N(=O)O7)[O]=N(=O)O6)=O
• Title of publication: Effect of Ligand Field Tuning on the SMM Behavior for Three Related Alkoxide-Bridged Dysprosium Dimers.
• Authors of publication: Peng, Yan; Mereacre, Valeriu; Baniodeh, Amer; Lan, Yanhua; Schlageter, Martin; Kostakis, George E.; Powell, Annie K.
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 55
• Journal issue: 1
• Pages of publication: 68
• a: 9.993 ± 0.01 Å
• b: 20.97 ± 0.02 Å
• c: 8.424 ± 0.008 Å
• α: 90°
• β: 102.566 ± 0.014°
• γ: 90°
• Cell volume: 1723 ± 3 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0864
• Residual factor for significantly intense reflections: 0.0711
• Weighted residual factors for significantly intense reflections: 0.1181
• Weighted residual factors for all reflections included in the refinement: 0.1257
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No