Information card for entry 4127572

Structure parameters

• Formula: C188 H88 B2 F8 N16 O16 Pd2
• Calculated formula: C188 H88 B2 F8 N16 O16 Pd2
• Title of publication: Pd(II) Coordination Sphere Engineering: Pyridine Cages, Quinoline Bowls, and Heteroleptic Pills Binding One or Two Fullerenes.
• Authors of publication: Chen, Bin; Holstein, Julian J.; Horiuchi, Shinnosuke; Hiller, Wolf G.; Clever, Guido H.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2019
• Journal volume: 141
• Journal issue: 22
• Pages of publication: 8907 - 8913
• a: 29.482 ± 0.006 Å
• b: 30.095 ± 0.006 Å
• c: 33.669 ± 0.007 Å
• α: 97.35 ± 0.03°
• β: 93.16 ± 0.03°
• γ: 112.74 ± 0.03°
• Cell volume: 27146 ± 12 ų
• Cell temperature: 80 ± 2 K
• Ambient diffraction temperature: 80 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.115
• Residual factor for significantly intense reflections: 0.0887
• Weighted residual factors for significantly intense reflections: 0.282
• Weighted residual factors for all reflections included in the refinement: 0.3067
• Goodness-of-fit parameter for all reflections included in the refinement: 1.165
• Diffraction radiation wavelength: 0.6888 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No