Information card for entry 4349393

Structure parameters

• Formula: C32 H28 Cl2 Dy2 N8 O20
• Calculated formula: C32 H28 Cl2 Dy2 N8 O20
• SMILES: C12c3cc(ccc3[NH+]=Cc3c(O[Dy]45([N]#CC)(O1)(ON(=[O]4)=O)(ON(=[O]5)=O)([OH2])[O]=C1c4cc(ccc4[NH+]=Cc4ccccc4O[Dy]45([O]=2)([N]#CC)(O1)([O]=N(=O)O4)(ON(=[O]5)=O)[OH2])Cl)cccc3)Cl
• Title of publication: Large Energy Barrier and Magnetization Hysteresis at 5 K for a Symmetric {Dy₂} Complex with Spherical Tricapped Trigonal Prismatic Dy^III Ions.
• Authors of publication: Mazarakioti, Eleni C.; Regier, Jeffery; Cunha-Silva, Luís; Wernsdorfer, Wolfgang; Pilkington, Melanie; Tang, Jinkui; Stamatatos, Theocharis C.
• Journal of publication: Inorganic chemistry
• Year of publication: 2017
• Journal volume: 56
• Journal issue: 6
• Pages of publication: 3568 - 3578
• a: 8.5421 ± 0.0006 Å
• b: 10.4051 ± 0.0008 Å
• c: 12.8795 ± 0.001 Å
• α: 66.309 ± 0.002°
• β: 74.672 ± 0.002°
• γ: 81.563 ± 0.003°
• Cell volume: 1009.92 ± 0.13 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.036
• Residual factor for significantly intense reflections: 0.0308
• Weighted residual factors for significantly intense reflections: 0.0613
• Weighted residual factors for all reflections included in the refinement: 0.0635
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No