Information card for entry 4346132

Structure parameters

• Formula: C108 H114 Dy8 N34 O28
• Calculated formula: C108 H94 Dy8 N34 O28
• Title of publication: Construction of Polynuclear Lanthanide (Ln = Dy(III), Tb(III), and Nd(III)) Cage Complexes Using Pyridine-Pyrazole-Based Ligands: Versatile Molecular Topologies and SMM Behavior.
• Authors of publication: Bala, Sukhen; Sen Bishwas, Mousumi; Pramanik, Bhaskar; Khanra, Sumit; Fromm, Katharina M.; Poddar, Pankaj; Mondal, Raju
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 17
• Pages of publication: 8197 - 8206
• a: 14.4489 ± 0.0007 Å
• b: 16.477 ± 0.0009 Å
• c: 18.7596 ± 0.001 Å
• α: 110.305 ± 0.002°
• β: 110.042 ± 0.002°
• γ: 94.732 ± 0.002°
• Cell volume: 3830.8 ± 0.4 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1153
• Residual factor for significantly intense reflections: 0.0625
• Weighted residual factors for significantly intense reflections: 0.1516
• Weighted residual factors for all reflections included in the refinement: 0.1688
• Goodness-of-fit parameter for all reflections included in the refinement: 0.875
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No