Information card for entry 4343039

Structure parameters

• Formula: C52 H47 Cl2 Dy3 N12 O22
• Calculated formula: C52 H47 Cl2 Dy3 N12 O22
• SMILES: [Dy]123456([OH]7[Dy]89%10%11([O]1C(=N[N]9=Cc1[n]%10c9c(cc1)cccc9O8)c1[n]4cccc1O)([O]1[Dy]4897(Oc7c%10[n]8c(C=[N]4N=C1c1[n]%11cccc1O)ccc%10ccc7)([O]2C(=N[N]5=Cc1[n]6c2c(cc1)cccc2O3)c1[n]9cccc1O)[OH]C)([OH]C)[OH]C)([OH]C)OCl(=O)(=O)=O.Cl(=O)(=O)(=O)[O-]
• Title of publication: Anions Influence the Relaxation Dynamics of Mono-μ3-OH-Capped Triangular Dysprosium Aggregates.
• Authors of publication: Zhang, Li; Zhang, Peng; Zhao, Lang; Wu, Jianfeng; Guo, Mei; Tang, Jinkui
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 11
• Pages of publication: 5571 - 5578
• a: 12.2026 ± 0.0005 Å
• b: 14.7513 ± 0.0006 Å
• c: 17.1605 ± 0.0007 Å
• α: 77.987 ± 0.001°
• β: 86.585 ± 0.001°
• γ: 78.286 ± 0.001°
• Cell volume: 2957.9 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0607
• Residual factor for significantly intense reflections: 0.0442
• Weighted residual factors for significantly intense reflections: 0.1138
• Weighted residual factors for all reflections included in the refinement: 0.1253
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No