Information card for entry 7241353

Structure parameters

• Formula: C57 H45 Er N2 O6
• Calculated formula: C57 H45 Er N2 O6
• Title of publication: Substituent effects of auxiliary ligand in mononuclear dibenzoylmethane DyIII/ErIII complexes: Single-molecule magnetic behavior and luminescence properties
• Authors of publication: Liu, Shan-Shan; Liu, Bin; Ding, Man-Man; Meng, Yin-Shan; Jing, Jia-Hui; Zhang, Yi-Quan; Wang, Xincheng; Lin, Shijing
• Journal of publication: CrystEngComm
• Year of publication: 2020
• a: 12.4741 ± 0.0011 Å
• b: 23.658 ± 0.002 Å
• c: 16.9381 ± 0.0015 Å
• α: 90°
• β: 99.71 ± 0.002°
• γ: 90°
• Cell volume: 4927 ± 0.7 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0939
• Residual factor for significantly intense reflections: 0.0536
• Weighted residual factors for significantly intense reflections: 0.0968
• Weighted residual factors for all reflections included in the refinement: 0.1047
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No