Information card for entry 7711255

Structure parameters

• Formula: C54 H56 N6 Ni2 O18 Y2
• Calculated formula: C54 H56 N6 Ni2 O18 Y2
• Title of publication: Exchange-driven slow relaxation of magnetization in NiII2LnIII2 (LnIII = Y, Gd, Tb and Dy) butterfly complexes: experimental and theoretical studies
• Authors of publication: Chakraborty, Amit; Ahmed, Naushad; Ali, Junaid; Moorthy, Shruti; Goura, Joydeb; Singh, Saurabh Kumar; Rogez, Guillaume; Chandrasekhar, Vadapalli
• Journal of publication: Dalton Transactions
• Year of publication: 2022
• a: 15.0051 ± 0.0007 Å
• b: 24.3858 ± 0.001 Å
• c: 14.8468 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5432.6 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.082
• Residual factor for significantly intense reflections: 0.0464
• Weighted residual factors for significantly intense reflections: 0.0995
• Weighted residual factors for all reflections included in the refinement: 0.1108
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No