Information card for entry 1575653

Structure parameters

• Formula: C72 H54 B4 F16 N14 Pd2
• Calculated formula: C72 H54 B4 F16 N14 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: 11.4465 ± 0.0002 Å
• b: 18.8695 ± 0.0004 Å
• c: 20.7359 ± 0.0004 Å
• α: 63.129 ± 0.002°
• β: 85.66 ± 0.002°
• γ: 82.854 ± 0.002°
• Cell volume: 3963.17 ± 0.15 ų
• Cell temperature: 99.99 ± 0.1 K
• Ambient diffraction temperature: 100.15 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0973
• Residual factor for significantly intense reflections: 0.0789
• Weighted residual factors for significantly intense reflections: 0.218
• Weighted residual factors for all reflections included in the refinement: 0.2323
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No