Information card for entry 7704739

Structure parameters

• Formula: C100 H126 Er N11 O15 Zn3
• Calculated formula: C100 H126 Er N11 O15 Zn3
• Title of publication: Self-assembly of tetranuclear 3d-4f helicates as highly efficient catalysts for CO₂ cycloaddition reactions under mild conditions.
• Authors of publication: Yang, Huan; Gao, Guoshu; Chen, Wanmin; Wang, Li; Liu, Weisheng
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 29
• Pages of publication: 10270 - 10277
• a: 15.1548 ± 0.0012 Å
• b: 19.2532 ± 0.0017 Å
• c: 19.4848 ± 0.0013 Å
• α: 72.372 ± 0.007°
• β: 85.842 ± 0.006°
• γ: 89.624 ± 0.007°
• Cell volume: 5403.3 ± 0.8 ų
• Cell temperature: 239 ± 2 K
• Ambient diffraction temperature: 239 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1128
• Residual factor for significantly intense reflections: 0.0643
• Weighted residual factors for significantly intense reflections: 0.1325
• Weighted residual factors for all reflections included in the refinement: 0.1647
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No