Information card for entry 7710085

Structure parameters

• Formula: C88 H52 B3 F12 N8 O8 Pd2
• Calculated formula: C88 H52 B3 F12 N8 O8 Pd2
• Title of publication: Highly-Fluorescent BODIPY-functionalised Metallacages as Drug Delivery Systems: Synthesis, Characterisation and Cellular Accumulation Studies
• Authors of publication: Aikman, Brech; Bonsignore, Riccardo; Woods, Ben; Doellerer, Daniel; Scotti, Riccardo; Schmidt, Claudia; Heidecker, Alexandra; Pöthig, Alexander; Sayers, Edward J.; Jones, Arwyn T.; Casini, Angela
• Journal of publication: Dalton Transactions
• Year of publication: 2022
• a: 20.261 ± 0.002 Å
• b: 21.251 ± 0.002 Å
• c: 17.3423 ± 0.0017 Å
• α: 90°
• β: 125.712 ± 0.002°
• γ: 90°
• Cell volume: 6062.9 ± 1 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 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: 0.0564
• Residual factor for significantly intense reflections: 0.0496
• Weighted residual factors for significantly intense reflections: 0.1454
• Weighted residual factors for all reflections included in the refinement: 0.1532
• Goodness-of-fit parameter for all reflections included in the refinement: 1.111
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No