Information card for entry 7125610

Structure parameters

• Formula: C78 H96 O18 Pb
• Calculated formula: C78 H96 O18 Pb
• Title of publication: p-tert-Butylcalix[6]arene hexacarboxylic acid conformational switching and octahedral coordination with Pb(II) and Sr(II).
• Authors of publication: Adhikari, Birendra Babu; Ohto, Keisuke; Schramm, Michael P.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2014
• Journal volume: 50
• Journal issue: 15
• Pages of publication: 1903 - 1905
• a: 28.3035 ± 0.0007 Å
• b: 28.3035 ± 0.0007 Å
• c: 28.3035 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 22673.6 ± 1 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 222
• Hermann-Mauguin space group symbol: P n -3 n :2
• Hall space group symbol: -P 4a 2bc 3
• Residual factor for all reflections: 0.0678
• Residual factor for significantly intense reflections: 0.0424
• Weighted residual factors for significantly intense reflections: 0.1243
• Weighted residual factors for all reflections included in the refinement: 0.1378
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No