Information card for entry 7125946

Structure parameters

• Formula: C396 H378 N48 O78 Pd6 S12
• Calculated formula: C396 H378 N48 O78 Pd6 S12
• Title of publication: Molecular balloon, Pd₆L₈ cages: recognition of alkyl sulfate surfactants.
• Authors of publication: Lee, Haeri; Kim, Dongwon; Oh, Hyejin; Jung, Ok-Sang
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 19
• Pages of publication: 2841 - 2844
• a: 29.802 ± 0.004 Å
• b: 29.802 ± 0.004 Å
• c: 68.496 ± 0.014 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 52685 ± 15 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.2036
• Residual factor for significantly intense reflections: 0.1499
• Weighted residual factors for significantly intense reflections: 0.4205
• Weighted residual factors for all reflections included in the refinement: 0.4504
• Goodness-of-fit parameter for all reflections included in the refinement: 1.852
• Diffraction radiation wavelength: 0.9 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No