Information card for entry 7113799

Structure parameters

• Formula: C90 H210 Dy10 O60
• Calculated formula: C90 H210 Dy10 O60
• SMILES: C1C[O](C)[Dy]2345([O](CC[O]3C)[Dy]367([O]12)([O](CC[O]7[Dy]127([O](CC[O]2C)[Dy]289([O](CC[O]8C)[Dy]8%10%11([O](CC[O]%11C)[Dy]%11%12%13([O](CC[O]%12C)[Dy]%12%14%15([O]%11CC[O]%13C)([O](CC[O]%15C)[Dy]%11%13%15([O](CC[O]%13C)[Dy]%13%16%17([O]([Dy]%18%19([O]4CC[O]%19C)([O]5CC[O]%18C)(OCCOC)[O]%13CC[O]%17C)CC[O]%16C)(OCCOC)[O]%11CC[O]%15C)(OCCOC)[O]%12CC[O]%14C)OCCOC)(OCCOC)[O]8CC[O]%10C)(OCCOC)[O]2CC[O]9C)(OCCOC)[O]1CC[O]7C)(OCCOC)[O]6CC[O]3C)C)OCCOC)OCCOC
• Title of publication: Self assembly, structure and properties of the decanuclear lanthanide ring complex, Dy10(OC2H4OCH3)30
• Authors of publication: Westin, L. Gunnar; Kritikos, Mikael; Caneschi, Andrea
• Journal of publication: Chemical Communications (Cambridge, United Kingdom)
• Year of publication: 2003
• Journal issue: 8
• Pages of publication: 1012 - 1013
• a: 13.6687 ± 0.0017 Å
• b: 20.39 ± 0.002 Å
• c: 24.851 ± 0.003 Å
• α: 90°
• β: 95.215 ± 0.015°
• γ: 90°
• Cell volume: 6897.4 ± 1.4 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0723
• Residual factor for significantly intense reflections: 0.0596
• Weighted residual factors for significantly intense reflections: 0.1102
• Weighted residual factors for all reflections included in the refinement: 0.1147
• Goodness-of-fit parameter for all reflections included in the refinement: 1.105
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Duplicate of: 7104073
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No