Information card for entry 7058612

Structure parameters

• Formula: C132 H126 Er4 N14 O16
• Calculated formula: C132 H126 Er4 N14 O16
• Title of publication: Structures, fluorescence properties and magnetic properties of a series of rhombus-shaped LnIII4 clusters: magnetocaloric effect and single-molecule-magnet behavior
• Authors of publication: Wang, Wen-Min; Zhang, Li; Li, Xian-Zhen; He, Li-Yuan; Wang, Xin-Xin; Shi, Ying; Wang, Jie; Dong, Jie; Wu, Zhi-Lei
• Journal of publication: New Journal of Chemistry
• Year of publication: 2019
• Journal volume: 43
• Journal issue: 33
• Pages of publication: 12941
• a: 12.89 ± 0.003 Å
• b: 15.336 ± 0.003 Å
• c: 16.618 ± 0.003 Å
• α: 99.075 ± 0.002°
• β: 93.174 ± 0.004°
• γ: 111.225 ± 0.004°
• Cell volume: 3001.2 ± 1.1 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113.15 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: 0.0335
• Residual factor for significantly intense reflections: 0.0266
• Weighted residual factors for significantly intense reflections: 0.0669
• Weighted residual factors for all reflections included in the refinement: 0.0692
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No