Information card for entry 4343037

Structure parameters

• Formula: C52 H51 Cl2 Dy3 N12 O16
• Calculated formula: C52 H47 Cl2 Dy3 N12 O16
• SMILES: [Dy]123456([OH]7[Dy]89%10%11([O]3C(=N[N]9=Cc3[n]%10c9c(cc3)cccc9O8)c3[n]6cccc3O)([O]3[Dy]6897([O]1C(=N[N]4=Cc1[n]5c4c(cc1)cccc4O2)c1[n]6cccc1O)(Oc1c2[n]9c(C=[N]8N=C3c3[n]%11cccc3O)ccc2ccc1)([OH]C)Cl)([OH]C)[OH2])([OH]C)[OH2].OC.[Cl-]
• 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: 12.1432 ± 0.0006 Å
• b: 13.8045 ± 0.0007 Å
• c: 34.8017 ± 0.0018 Å
• α: 90°
• β: 91.589 ± 0.001°
• γ: 90°
• Cell volume: 5831.6 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• 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: 0.049
• Residual factor for significantly intense reflections: 0.0361
• Weighted residual factors for significantly intense reflections: 0.077
• Weighted residual factors for all reflections included in the refinement: 0.0827
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No