Information card for entry 7708485

Structure parameters

• Formula: C186 H229 Li2 N5 O17 Pb4
• Calculated formula: C186 H229 Li2 N5 O17 Pb4
• 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: 13.7079 ± 0.0003 Å
• b: 15.0694 ± 0.0002 Å
• c: 22.7536 ± 0.0004 Å
• α: 97.3001 ± 0.0015°
• β: 100.286 ± 0.0017°
• γ: 102.884 ± 0.0016°
• Cell volume: 4439.47 ± 0.15 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 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: 0.0963
• Residual factor for significantly intense reflections: 0.0795
• Weighted residual factors for significantly intense reflections: 0.1226
• Weighted residual factors for all reflections included in the refinement: 0.1279
• Goodness-of-fit parameter for all reflections included in the refinement: 1.228
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Diffraction radiation X-ray symbol: K-L~3~
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No