Information card for entry 7107363

Structure parameters

• Formula: C39 H27 Dy4 N15 O21
• Calculated formula: C39 H27 Dy4 N15 O21
• SMILES: c1cc2c3cccc4c5[n]([nH]cc5)[Dy]567([n]2[nH]1)([n]34)([O]=C1O[Dy]2348([O]9C(=O)O[Dy]%10%11%12%139([O]51)([O]1C(=[O][Dy]591([n]1c(cc[nH]1)c1cccc(c%14[n]9[nH]cc%14)[n]51)([O]=C(O4)[O]8%10)([O]%11C(=O)O%13)[OH2])O6)[O]7C(=O)O%12)([n]1c(cc[nH]1)c1cccc(c4[n]3[nH]cc4)[n]21)[OH2])[OH2]
• Title of publication: A p-p 3D network of tetranuclear μ2 /μ 3-carbonato Dy(III) bis-pyrazolylpyridine clusters showing single molecule magnetism features.
• Authors of publication: Ian A. Gass; Boujemaa Moubaraki; Stuart K. Langley; Stuart R. Batten; Keith S. Murray
• Journal of publication: Chem.Commun.
• Year of publication: 2012
• Journal volume: 48
• Pages of publication: 2089
• a: 21.3354 ± 0.0003 Å
• b: 21.3354 ± 0.0003 Å
• c: 11.5428 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 4550.34 ± 0.15 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 5
• Space group number: 159
• Hermann-Mauguin space group symbol: P 3 1 c
• Hall space group symbol: P 3 -2c
• Residual factor for all reflections: 0.0427
• Residual factor for significantly intense reflections: 0.0348
• Weighted residual factors for significantly intense reflections: 0.0775
• Weighted residual factors for all reflections included in the refinement: 0.0808
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No