Information card for entry 4344823

Structure parameters

• Formula: C20 H30 Dy2 N8 O16
• Calculated formula: C20 H30 Dy2 N8 O16
• SMILES: c1cccc2[n]1[Dy]13456(ON(=O)=[O]1)(ON(=O)=[O]5)[N](C2)(CC[O]3[Dy]12357([n]8ccccc8C[N]1(CC[O]42)CC[OH]7)(ON(=O)=[O]3)ON(=O)=[O]5)CC[OH]6
• 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: 11.4774 ± 0.0016 Å
• b: 15.404 ± 0.002 Å
• c: 8.6564 ± 0.0011 Å
• α: 90°
• β: 90.972 ± 0.012°
• γ: 90°
• Cell volume: 1530.2 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.0497
• Residual factor for significantly intense reflections: 0.0391
• Weighted residual factors for significantly intense reflections: 0.0918
• Weighted residual factors for all reflections included in the refinement: 0.0989
• Goodness-of-fit parameter for all reflections included in the refinement: 0.986
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No