Information card for entry 7708491

Structure parameters

• Formula: C94 H122 Cl2 O10 Pb6 Si2
• Calculated formula: C94 H122 Cl2 O10 Pb6 Si2
• 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: 14.3597 ± 0.0005 Å
• b: 15.8609 ± 0.0008 Å
• c: 15.8791 ± 0.0006 Å
• α: 66.795 ± 0.005°
• β: 67.082 ± 0.004°
• γ: 88.389 ± 0.003°
• Cell volume: 3027.9 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.1246
• Residual factor for significantly intense reflections: 0.0816
• Weighted residual factors for significantly intense reflections: 0.2
• Weighted residual factors for all reflections included in the refinement: 0.2366
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• 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