Information card for entry 4344824

Structure parameters

• Formula: C30 H36 Dy2 N10 O16
• Calculated formula: C30 H36 Dy2 N10 O16
• SMILES: c1cccc2C[N]34C(CO)C[O]5[Dy]674([n]12)([n]1c(C3)cccc1)(ON(=O)=[O]6)([O]1CC([N]23Cc4cccc[n]4[Dy]46513([n]1c(C2)cccc1)(ON(=O)=[O]4)ON(=O)=[O]6)CO)ON(=O)=[O]7
• 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: 16.0416 ± 0.0006 Å
• b: 13.7439 ± 0.0006 Å
• c: 16.7924 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3702.3 ± 0.3 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 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: 0.026
• Residual factor for significantly intense reflections: 0.0213
• Weighted residual factors for significantly intense reflections: 0.0502
• Weighted residual factors for all reflections included in the refinement: 0.0513
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No