Information card for entry 7708487

Structure parameters

• Formula: C215 H264.5 N19.5 O20 Pb12
• Calculated formula: C200 H242 N12 O20 Pb12
• 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: 18.0913 ± 0.0003 Å
• b: 18.1443 ± 0.0003 Å
• c: 19.6341 ± 0.0003 Å
• α: 66.654 ± 0.002°
• β: 73.896 ± 0.002°
• γ: 89.95 ± 0.001°
• Cell volume: 5641.5 ± 0.2 ų
• Cell temperature: 100.15 K
• Ambient diffraction temperature: 100.15 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: 0.0713
• Residual factor for significantly intense reflections: 0.0571
• Weighted residual factors for significantly intense reflections: 0.1533
• Weighted residual factors for all reflections included in the refinement: 0.1623
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No