Information card for entry 7702252

Structure parameters

• Formula: C78 H82 Er6 N12 O26
• Calculated formula: C78 H82 Er6 N12 O26
• Title of publication: Linear-shaped Ln and Ln clusters constructed by a polydentate Schiff base ligand and a β-diketone co-ligand: structures, fluorescence properties, magnetic refrigeration and single-molecule magnet behavior.
• Authors of publication: Wang, Wen-Min; He, Li-Yuan; Wang, Xin-Xin; Shi, Ying; Wu, Zhi-Lei; Cui, Jian-Zhong
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 44
• Pages of publication: 16744 - 16755
• a: 11.518 ± 0.0009 Å
• b: 12.4304 ± 0.0009 Å
• c: 17.4525 ± 0.0012 Å
• α: 104.453 ± 0.004°
• β: 98.872 ± 0.004°
• γ: 109.749 ± 0.003°
• Cell volume: 2197.9 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 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: 0.0926
• Residual factor for significantly intense reflections: 0.0491
• Weighted residual factors for significantly intense reflections: 0.1039
• Weighted residual factors for all reflections included in the refinement: 0.1208
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No