Information card for entry 7713412

Structure parameters

• Formula: C96 H108 Dy6 F12 N18 O34
• Calculated formula: C96 H108 Dy6 F12 N18 O34
• Title of publication: Synthesis, Structures and Magnetic studies of Hexanuclear Lanthanide Complexes: SMM behavior in DyIII analogue and MCE properties in the GdIII analogue
• Authors of publication: Kumar, Pawan; Kalita, Pankaj; Palacios, Maria A.; Kumar, Vierandra; Acharya, Joydev; Colacio, Enrique; Chandrasekhar, Vadapalli
• Journal of publication: Dalton Transactions
• Year of publication: 2023
• a: 14.908 ± 0.0004 Å
• b: 20.261 ± 0.0006 Å
• c: 19.5143 ± 0.0006 Å
• α: 90°
• β: 98.266 ± 0.003°
• γ: 90°
• Cell volume: 5833.1 ± 0.3 ų
• Cell temperature: 119.98 ± 0.1 K
• Ambient diffraction temperature: 119.98 ± 0.1 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: 0.0621
• Residual factor for significantly intense reflections: 0.0454
• Weighted residual factors for significantly intense reflections: 0.1124
• Weighted residual factors for all reflections included in the refinement: 0.1219
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No