Information card for entry 7056020

Structure parameters

• Formula: C112 H138 N10 O12 Pd2
• Calculated formula: C112 H138 N10 O12 Pd2
• Title of publication: Selective extraction of Pd(ii) by p-tert-butylcalix[4]arenedicarboxylic acid
• Authors of publication: Morohashi, N.; Iijima, S.; Akasaka, K.; Hattori, T.
• Journal of publication: New J. Chem.
• Year of publication: 2017
• Journal volume: 41
• Journal issue: 6
• Pages of publication: 2231
• a: 12.386 ± 0.0011 Å
• b: 18.8479 ± 0.0017 Å
• c: 22.508 ± 0.002 Å
• α: 90°
• β: 95.0605 ± 0.0013°
• γ: 90°
• Cell volume: 5234 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0659
• Residual factor for significantly intense reflections: 0.0522
• Weighted residual factors for significantly intense reflections: 0.1361
• Weighted residual factors for all reflections included in the refinement: 0.1483
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No