Information card for entry 4334797

Structure parameters

• Formula: C48 H58 Dy N7 O12
• Calculated formula: C48 H58 Dy N7 O12
• SMILES: [Dy]1234([O]=C(C(=O)O1)Nc1c(cccc1C)C)([O]=C(C(=O)O2)Nc1c(cccc1C)C)([O]=C(C(=O)O3)Nc1c(cccc1C)C)[O]=C(C(=O)O4)Nc1c(cccc1C)C.[N+](C)(C)(C)C.N#CC.N#CC
• Title of publication: Slow Magnetic Relaxation in a Hydrogen-Bonded 2D Array of Mononuclear Dysprosium(III) Oxamates
• Authors of publication: Francisco R. Fortea-Pérez; Julia Vallejo; Miguel Julve; Francesc Lloret; Giovanni De Munno; Donatella Armentano; Emilio Pardo
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 4777 - 4779
• a: 18.893 ± 0.0011 Å
• b: 12.4109 ± 0.0007 Å
• c: 23.7637 ± 0.0014 Å
• α: 90°
• β: 106.903 ± 0.003°
• γ: 90°
• Cell volume: 5331.4 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0378
• Residual factor for significantly intense reflections: 0.0297
• Weighted residual factors for significantly intense reflections: 0.0739
• Weighted residual factors for all reflections included in the refinement: 0.0803
• Goodness-of-fit parameter for all reflections included in the refinement: 1.115
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No