Information card for entry 4127575

Structure parameters

• Formula: C192 H96 B4 F16 N18 O12 Pd2
• Calculated formula: C192 H96 B4 F16 N18 O12 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: 18.9931 ± 0.0018 Å
• b: 20.6975 ± 0.0019 Å
• c: 24.287 ± 0.002 Å
• α: 69.678 ± 0.006°
• β: 72.978 ± 0.006°
• γ: 69.473 ± 0.006°
• Cell volume: 8224.3 ± 1.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.1412
• Residual factor for significantly intense reflections: 0.0994
• Weighted residual factors for significantly intense reflections: 0.2438
• Weighted residual factors for all reflections included in the refinement: 0.2675
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No