Information card for entry 7708489

Structure parameters

• Formula: C68 H81 Cl0.5 Li N O8.5 Pb5
• Calculated formula: C68 H81 Cl0.5 Li N O8.5 Pb5
• Title of publication: Lead calix[n]arenes (n=4, 6, 8): Structures and ring opening homo-/co-polymerization capability for cyclic esters
• Authors of publication: Xing, Tian; Prior, Timothy J.; Redshaw, Carl
• Journal of publication: Dalton Transactions
• Year of publication: 2021
• a: 19.7928 ± 0.0002 Å
• b: 33.7801 ± 0.0003 Å
• c: 24.5621 ± 0.0003 Å
• α: 90°
• β: 105.549 ± 0.001°
• γ: 90°
• Cell volume: 15821.3 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.0647
• Residual factor for significantly intense reflections: 0.0389
• Weighted residual factors for significantly intense reflections: 0.0831
• Weighted residual factors for all reflections included in the refinement: 0.0897
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Diffraction radiation X-ray symbol: K-L~3~
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No