Information card for entry 7120741

Structure parameters

• Formula: C270 H228 B3 Cl2 F12 I N26 O8 Pd4
• Calculated formula: C270 H228 B3 Cl2 F12 I N26 O8 Pd4
• Title of publication: Influence of Size, Shape, Heteroatom Content and Dispersive Contributions on Guest Binding in a Coordination Cage
• Authors of publication: Löffler, Susanne; Wuttke, Axel; Zhang, Bo; Holstein, Julian J.; Mata, Ricardo A.; Clever, Guido H.
• Journal of publication: Chem. Commun.
• Year of publication: 2017
• a: 22.064 ± 0.003 Å
• b: 22.064 ± 0.003 Å
• c: 62.075 ± 0.012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 30219 ± 8 ų
• Cell temperature: 80 ± 2 K
• Ambient diffraction temperature: 80 ± 2 K
• Number of distinct elements: 9
• Space group number: 130
• Hermann-Mauguin space group symbol: P 4/n c c
• Hall space group symbol: -P 4a 2ac
• Residual factor for all reflections: 0.1132
• Residual factor for significantly intense reflections: 0.095
• Weighted residual factors for significantly intense reflections: 0.3564
• Weighted residual factors for all reflections included in the refinement: 0.384
• Goodness-of-fit parameter for all reflections included in the refinement: 1.632
• Diffraction radiation wavelength: 0.5636 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No