Information card for entry 1568301

Structure parameters

• Formula: C164 H130 N19 O15 Pd2
• Calculated formula: C164 H130 N19 O15 Pd2
• Title of publication: Maximized axial helicity in a Pd₂L₄ cage: inverse guest size-dependent compression and mesocate isomerism.
• Authors of publication: Bloch, Witold M.; Horiuchi, Shinnosuke; Holstein, Julian J.; Drechsler, Christoph; Wuttke, Axel; Hiller, Wolf; Mata, Ricardo A.; Clever, Guido H.
• Journal of publication: Chemical science
• Year of publication: 2023
• Journal volume: 14
• Journal issue: 6
• Pages of publication: 1524 - 1531
• a: 18.202 ± 0.004 Å
• b: 29.004 ± 0.006 Å
• c: 29.977 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 15826 ± 6 ų
• Cell temperature: 80 ± 2 K
• Ambient diffraction temperature: 80 ± 2 K
• Number of distinct elements: 5
• Space group number: 56
• Hermann-Mauguin space group symbol: P c c n
• Hall space group symbol: -P 2ab 2ac
• Residual factor for all reflections: 0.1489
• Residual factor for significantly intense reflections: 0.117
• Weighted residual factors for significantly intense reflections: 0.3686
• Weighted residual factors for all reflections included in the refinement: 0.4027
• Goodness-of-fit parameter for all reflections included in the refinement: 1.462
• Diffraction radiation wavelength: 0.5636 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No