Information card for entry 1572001

Structure parameters

• Formula: C156 H266 N60 O80 Pd8
• Calculated formula: C156 H202 N44 Pd8
• Title of publication: Formation of a low-symmetry Pd₈ molecular barrel employing a hetero donor tetradentate ligand, and its use in the binding and extraction of C₇₀.
• Authors of publication: Prajapati, Dharmraj; Clegg, Jack K.; Mukherjee, Partha Sarathi
• Journal of publication: Chemical science
• Year of publication: 2024
• Journal volume: 15
• Journal issue: 31
• Pages of publication: 12502 - 12510
• a: 21.8333 ± 0.0004 Å
• b: 21.8629 ± 0.0003 Å
• c: 30.2029 ± 0.0006 Å
• α: 87.8618 ± 0.0014°
• β: 77.0258 ± 0.0015°
• γ: 82.1629 ± 0.0014°
• Cell volume: 13917.4 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1302
• Residual factor for significantly intense reflections: 0.0979
• Weighted residual factors for significantly intense reflections: 0.2843
• Weighted residual factors for all reflections included in the refinement: 0.3153
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No