Information card for entry 7058613

Structure parameters

• Formula: C132 H129 Ho4 N13 O17
• Calculated formula: C132 H129 Ho4 N13 O17
• 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: 17.7355 ± 0.0018 Å
• b: 19.8419 ± 0.0016 Å
• c: 20.6173 ± 0.0018 Å
• α: 67.85 ± 0.012°
• β: 71.409 ± 0.011°
• γ: 64.294 ± 0.009°
• Cell volume: 5949.1 ± 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: 0.0701
• Residual factor for significantly intense reflections: 0.0426
• Weighted residual factors for significantly intense reflections: 0.0931
• Weighted residual factors for all reflections included in the refinement: 0.1095
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No