Information card for entry 1566163

Structure parameters

• Formula: C608 H384 F60 N96 O64 Pd8 Sb10
• Calculated formula: C608 H384 F60 N96 O64 Pd8 Sb10
• Title of publication: Cooperativity of steric bulk and H-bonding in coordination sphere engineering: heteroleptic PdII cages and bowls by design
• Authors of publication: Chen, Bin; Holstein, Julian J.; Platzek, André; Schneider, Laura; Wu, Kai; Clever, Guido H.
• Journal of publication: Chemical Science
• Year of publication: 2022
• a: 41.972 ± 0.008 Å
• b: 70.711 ± 0.014 Å
• c: 27.616 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 81961 ± 3 ų
• Cell temperature: 80 ± 2 K
• Ambient diffraction temperature: 80 ± 2 K
• Number of distinct elements: 7
• 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: 0.1676
• Residual factor for significantly intense reflections: 0.1294
• Weighted residual factors for significantly intense reflections: 0.3728
• Weighted residual factors for all reflections included in the refinement: 0.4034
• Goodness-of-fit parameter for all reflections included in the refinement: 1.649
• Diffraction radiation wavelength: 0.6888 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No