Information card for entry 1575652

Structure parameters

• Formula: C74 H59 B4 F16 N9 O Pd2
• Calculated formula: C74 H59 B4 F16 N9 O Pd2
• Title of publication: Coordination sphere interactions drive isomer selection in heteroleptic Pd(ii) cages with low-symmetry ligands.
• Authors of publication: Molinska, Paulina; Male, Louise; Lewis, James E. M.
• Journal of publication: Chemical science
• Year of publication: 2025
• Journal volume: 16
• Journal issue: 38
• Pages of publication: 17939 - 17947
• a: 12.5045 ± 0.0004 Å
• b: 42.5947 ± 0.0013 Å
• c: 15.1704 ± 0.0005 Å
• α: 90°
• β: 100.318 ± 0.003°
• γ: 90°
• Cell volume: 7949.5 ± 0.4 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 7
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.0776
• Residual factor for significantly intense reflections: 0.0658
• Weighted residual factors for significantly intense reflections: 0.1868
• Weighted residual factors for all reflections included in the refinement: 0.2019
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No