Information card for entry 1569524

Structure parameters

• Formula: C16 H24 B2 F8 N8 Pd
• Calculated formula: C16 H24 B2 F8 N8 Pd
• SMILES: [B](F)(F)(F)[F-].c1cn(c[n]1[Pd]([n]1cn(cc1)C)([n]1ccn(c1)C)[n]1cn(cc1)C)C.[B](F)(F)(F)[F-]
• Title of publication: Exploiting reduced-symmetry ligands with pyridyl and imidazole donors to construct a second-generation stimuli-responsive heterobimetallic [PdPtL₄]⁴⁺ cage.
• Authors of publication: Pearcy, Aston C.; Lisboa, Lynn S.; Preston, Dan; Page, Nick B.; Lawrence, Tristan; Wright, L. James; Hartinger, Christian G.; Crowley, James D.
• Journal of publication: Chemical science
• Year of publication: 2023
• Journal volume: 14
• Journal issue: 32
• Pages of publication: 8615 - 8623
• a: 7.9819 ± 0.0001 Å
• b: 10.3824 ± 0.0001 Å
• c: 14.2482 ± 0.0003 Å
• α: 90°
• β: 94.673 ± 0.002°
• γ: 90°
• Cell volume: 1176.84 ± 0.03 ų
• Cell temperature: 100.01 ± 0.1 K
• Ambient diffraction temperature: 100.01 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0337
• Residual factor for significantly intense reflections: 0.0336
• Weighted residual factors for significantly intense reflections: 0.0826
• Weighted residual factors for all reflections included in the refinement: 0.0826
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0408
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No